USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 775 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= 0 K(o=0.33,f=-0.29) USER MOD Set 1.3: B 13 ASN : amide:sc= 0.328 K(o=0.33,f=-3.8!) USER MOD Set 2.1: A 76 SER OG : rot 35:sc= 0.099 USER MOD Set 2.2: A 80 CYS SG : rot -80:sc= 0.542 USER MOD Set 2.3: A 82 THR OG1 : rot 141:sc= 0.574 USER MOD Set 3.1: A 41 THR OG1 : rot -59:sc= 0.947 USER MOD Set 3.2: A 43 SER OG : rot -15:sc= 0.516 USER MOD Set 4.1: A 17 HIS : no HD1:sc= -0.0301 K(o=0.79,f=-7.7!) USER MOD Set 4.2: A 19 THR OG1 : rot 172:sc= 0.399 USER MOD Set 4.3: A 20 LYS NZ :NH3+ -172:sc= 0.423 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= -0.0347 (180deg=-0.33) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 0.629 F(o=0.067,f=0.63) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00244 USER MOD Single : A 38 MET CE :methyl -164:sc= -0.0301 (180deg=-0.511) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : no HD1:sc= 1.04 K(o=1,f=-3.1!) USER MOD Single : A 59 TYR OH : rot -166:sc= 1.25 USER MOD Single : A 61 CYS SG : rot -56:sc= 0.759 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 73 SER OG : rot 38:sc= 0.0992 USER MOD Single : A 81 GLN : amide:sc= 0.707 K(o=0.71,f=-4.4!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= 0.9 (180deg=0.791) USER MOD Single : A 91 CYS SG : rot -170:sc= -0.0204 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.0403 K(o=0.04,f=-0.62) USER MOD Single : A 105 MET CE :methyl -169:sc= -0.352 (180deg=-0.603) USER MOD Single : B 6 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.0095) USER MOD Single : B 9 CYS SG : rot 160:sc= 0 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 17 -3.997 -16.359 -6.816 1.00 0.00 N ATOM 203 CA HIS A 17 -3.703 -15.323 -7.824 1.00 0.00 C ATOM 204 C HIS A 17 -2.966 -14.076 -7.256 1.00 0.00 C ATOM 205 O HIS A 17 -3.385 -13.565 -6.212 1.00 0.00 O ATOM 206 CB HIS A 17 -5.020 -14.888 -8.487 1.00 0.00 C ATOM 207 CG HIS A 17 -4.789 -14.133 -9.762 1.00 0.00 C ATOM 208 ND1 HIS A 17 -4.444 -12.787 -9.831 1.00 0.00 N ATOM 209 CD2 HIS A 17 -4.737 -14.674 -11.011 1.00 0.00 C ATOM 210 CE1 HIS A 17 -4.186 -12.546 -11.126 1.00 0.00 C ATOM 211 NE2 HIS A 17 -4.359 -13.658 -11.861 1.00 0.00 N ATOM 0 HA HIS A 17 -3.021 -15.771 -8.547 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.629 -15.768 -8.693 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.585 -14.264 -7.794 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.950 -15.698 -11.282 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.881 -11.589 -11.523 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -4.233 -13.736 -12.870 1.00 0.00 H new ATOM 219 N PRO A 18 -1.917 -13.543 -7.922 1.00 0.00 N ATOM 220 CA PRO A 18 -1.112 -12.437 -7.397 1.00 0.00 C ATOM 221 C PRO A 18 -1.847 -11.091 -7.270 1.00 0.00 C ATOM 222 O PRO A 18 -1.359 -10.236 -6.532 1.00 0.00 O ATOM 223 CB PRO A 18 0.103 -12.328 -8.326 1.00 0.00 C ATOM 224 CG PRO A 18 -0.401 -12.913 -9.643 1.00 0.00 C ATOM 225 CD PRO A 18 -1.327 -14.027 -9.166 1.00 0.00 C ATOM 0 HA PRO A 18 -0.838 -12.660 -6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.426 -11.294 -8.444 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.955 -12.886 -7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.930 -12.172 -10.242 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.414 -13.296 -10.257 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.097 -14.241 -9.907 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.775 -14.953 -9.004 1.00 0.00 H new ATOM 233 N THR A 19 -3.006 -10.894 -7.927 1.00 0.00 N ATOM 234 CA THR A 19 -3.819 -9.667 -7.804 1.00 0.00 C ATOM 235 C THR A 19 -5.267 -9.912 -7.402 1.00 0.00 C ATOM 236 O THR A 19 -5.906 -8.971 -6.936 1.00 0.00 O ATOM 237 CB THR A 19 -3.746 -8.789 -9.061 1.00 0.00 C ATOM 238 OG1 THR A 19 -4.345 -9.422 -10.174 1.00 0.00 O ATOM 239 CG2 THR A 19 -2.301 -8.468 -9.439 1.00 0.00 C ATOM 0 H THR A 19 -3.407 -11.585 -8.561 1.00 0.00 H new ATOM 0 HA THR A 19 -3.362 -9.123 -6.977 1.00 0.00 H new ATOM 0 HB THR A 19 -4.283 -7.873 -8.817 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.397 -8.790 -10.921 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.289 -7.845 -10.333 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.820 -7.935 -8.619 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.762 -9.395 -9.635 1.00 0.00 H new ATOM 247 N LYS A 20 -5.774 -11.149 -7.503 1.00 0.00 N ATOM 248 CA LYS A 20 -7.106 -11.529 -7.000 1.00 0.00 C ATOM 249 C LYS A 20 -7.024 -12.318 -5.681 1.00 0.00 C ATOM 250 O LYS A 20 -6.395 -13.376 -5.592 1.00 0.00 O ATOM 251 CB LYS A 20 -7.897 -12.303 -8.078 1.00 0.00 C ATOM 252 CG LYS A 20 -8.815 -11.409 -8.915 1.00 0.00 C ATOM 253 CD LYS A 20 -8.060 -10.520 -9.902 1.00 0.00 C ATOM 254 CE LYS A 20 -7.406 -11.295 -11.048 1.00 0.00 C ATOM 255 NZ LYS A 20 -6.674 -10.362 -11.938 1.00 0.00 N ATOM 0 H LYS A 20 -5.269 -11.921 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.648 -10.609 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.195 -12.811 -8.739 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.496 -13.075 -7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.517 -12.035 -9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.404 -10.780 -8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.750 -9.786 -10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.291 -9.966 -9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.721 -12.042 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.166 -11.831 -11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.348 -10.872 -12.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.306 -9.587 -12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.854 -9.971 -11.432 1.00 0.00 H new ATOM 269 N PHE A 21 -7.728 -11.828 -4.661 1.00 0.00 N ATOM 270 CA PHE A 21 -7.754 -12.357 -3.300 1.00 0.00 C ATOM 271 C PHE A 21 -9.201 -12.684 -2.917 1.00 0.00 C ATOM 272 O PHE A 21 -10.019 -11.794 -2.698 1.00 0.00 O ATOM 273 CB PHE A 21 -7.106 -11.330 -2.359 1.00 0.00 C ATOM 274 CG PHE A 21 -5.645 -11.042 -2.656 1.00 0.00 C ATOM 275 CD1 PHE A 21 -5.290 -10.040 -3.581 1.00 0.00 C ATOM 276 CD2 PHE A 21 -4.634 -11.760 -1.991 1.00 0.00 C ATOM 277 CE1 PHE A 21 -3.936 -9.768 -3.845 1.00 0.00 C ATOM 278 CE2 PHE A 21 -3.279 -11.483 -2.247 1.00 0.00 C ATOM 279 CZ PHE A 21 -2.929 -10.490 -3.179 1.00 0.00 C ATOM 0 H PHE A 21 -8.326 -11.009 -4.769 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.183 -13.282 -3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.667 -10.397 -2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.192 -11.690 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.061 -9.479 -4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.900 -12.528 -1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.669 -9.004 -4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.508 -12.033 -1.728 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.889 -10.282 -3.383 1.00 0.00 H new ATOM 289 N LYS A 22 -9.540 -13.975 -2.865 1.00 0.00 N ATOM 290 CA LYS A 22 -10.892 -14.440 -2.520 1.00 0.00 C ATOM 291 C LYS A 22 -11.182 -14.158 -1.037 1.00 0.00 C ATOM 292 O LYS A 22 -10.344 -14.425 -0.173 1.00 0.00 O ATOM 293 CB LYS A 22 -11.026 -15.924 -2.902 1.00 0.00 C ATOM 294 CG LYS A 22 -11.082 -16.058 -4.433 1.00 0.00 C ATOM 295 CD LYS A 22 -10.780 -17.476 -4.939 1.00 0.00 C ATOM 296 CE LYS A 22 -10.574 -17.500 -6.465 1.00 0.00 C ATOM 297 NZ LYS A 22 -9.364 -16.740 -6.873 1.00 0.00 N ATOM 0 H LYS A 22 -8.885 -14.732 -3.061 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.647 -13.894 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.182 -16.489 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.927 -16.345 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.072 -15.761 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.368 -15.364 -4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.887 -17.857 -4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.601 -18.141 -4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.485 -18.532 -6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.451 -17.078 -6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.085 -17.021 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.572 -15.721 -6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.587 -16.945 -6.213 1.00 0.00 H new ATOM 311 N VAL A 23 -12.352 -13.585 -0.753 1.00 0.00 N ATOM 312 CA VAL A 23 -12.717 -13.030 0.561 1.00 0.00 C ATOM 313 C VAL A 23 -14.175 -13.320 0.928 1.00 0.00 C ATOM 314 O VAL A 23 -15.016 -13.545 0.056 1.00 0.00 O ATOM 315 CB VAL A 23 -12.473 -11.500 0.635 1.00 0.00 C ATOM 316 CG1 VAL A 23 -10.987 -11.132 0.758 1.00 0.00 C ATOM 317 CG2 VAL A 23 -13.107 -10.697 -0.512 1.00 0.00 C ATOM 0 H VAL A 23 -13.095 -13.489 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.067 -13.529 1.280 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.985 -11.211 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.883 -10.048 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.576 -11.576 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.445 -11.511 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.886 -9.638 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.698 -11.037 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.187 -10.846 -0.507 1.00 0.00 H new ATOM 327 N THR A 24 -14.475 -13.256 2.228 1.00 0.00 N ATOM 328 CA THR A 24 -15.829 -13.377 2.779 1.00 0.00 C ATOM 329 C THR A 24 -16.023 -12.278 3.805 1.00 0.00 C ATOM 330 O THR A 24 -15.299 -12.237 4.794 1.00 0.00 O ATOM 331 CB THR A 24 -16.017 -14.761 3.411 1.00 0.00 C ATOM 332 OG1 THR A 24 -15.795 -15.760 2.439 1.00 0.00 O ATOM 333 CG2 THR A 24 -17.423 -14.953 3.978 1.00 0.00 C ATOM 0 H THR A 24 -13.764 -13.115 2.946 1.00 0.00 H new ATOM 0 HA THR A 24 -16.573 -13.272 1.990 1.00 0.00 H new ATOM 0 HB THR A 24 -15.300 -14.839 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 24 -15.914 -16.644 2.845 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.507 -15.948 4.415 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.611 -14.203 4.746 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.156 -14.845 3.178 1.00 0.00 H new ATOM 341 N ASN A 25 -16.981 -11.380 3.581 1.00 0.00 N ATOM 342 CA ASN A 25 -17.317 -10.320 4.535 1.00 0.00 C ATOM 343 C ASN A 25 -17.924 -10.940 5.807 1.00 0.00 C ATOM 344 O ASN A 25 -18.824 -11.781 5.704 1.00 0.00 O ATOM 345 CB ASN A 25 -18.277 -9.316 3.869 1.00 0.00 C ATOM 346 CG ASN A 25 -18.523 -8.072 4.721 1.00 0.00 C ATOM 347 OD1 ASN A 25 -17.496 -7.299 5.021 1.00 0.00 O flip ATOM 348 ND2 ASN A 25 -19.642 -7.773 5.117 1.00 0.00 N flip ATOM 0 H ASN A 25 -17.547 -11.365 2.733 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.418 -9.779 4.829 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.867 -9.014 2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.229 -9.808 3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.439 -8.366 4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -19.777 -6.930 5.676 1.00 0.00 H new ATOM 355 N VAL A 26 -17.438 -10.540 6.987 1.00 0.00 N ATOM 356 CA VAL A 26 -17.881 -11.089 8.282 1.00 0.00 C ATOM 357 C VAL A 26 -18.352 -10.000 9.252 1.00 0.00 C ATOM 358 O VAL A 26 -17.935 -8.845 9.159 1.00 0.00 O ATOM 359 CB VAL A 26 -16.831 -12.011 8.954 1.00 0.00 C ATOM 360 CG1 VAL A 26 -16.346 -13.142 8.026 1.00 0.00 C ATOM 361 CG2 VAL A 26 -15.611 -11.263 9.512 1.00 0.00 C ATOM 0 H VAL A 26 -16.720 -9.821 7.075 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.740 -11.715 8.041 1.00 0.00 H new ATOM 0 HB VAL A 26 -17.371 -12.446 9.795 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.613 -13.754 8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.194 -13.762 7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.888 -12.711 7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.923 -11.976 9.966 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.106 -10.736 8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.937 -10.545 10.264 1.00 0.00 H new ATOM 371 N ASP A 27 -19.227 -10.388 10.183 1.00 0.00 N ATOM 372 CA ASP A 27 -19.742 -9.529 11.258 1.00 0.00 C ATOM 373 C ASP A 27 -18.794 -9.413 12.476 1.00 0.00 C ATOM 374 O ASP A 27 -17.638 -9.839 12.442 1.00 0.00 O ATOM 375 CB ASP A 27 -21.166 -9.982 11.649 1.00 0.00 C ATOM 376 CG ASP A 27 -21.271 -11.306 12.423 1.00 0.00 C ATOM 377 OD1 ASP A 27 -20.235 -11.970 12.662 1.00 0.00 O ATOM 378 OD2 ASP A 27 -22.411 -11.681 12.780 1.00 0.00 O ATOM 0 H ASP A 27 -19.609 -11.333 10.213 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.794 -8.513 10.868 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -21.622 -9.196 12.252 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.759 -10.070 10.739 1.00 0.00 H new ATOM 383 N ASP A 28 -19.294 -8.826 13.568 1.00 0.00 N ATOM 384 CA ASP A 28 -18.589 -8.649 14.843 1.00 0.00 C ATOM 385 C ASP A 28 -18.235 -9.950 15.574 1.00 0.00 C ATOM 386 O ASP A 28 -17.235 -9.993 16.295 1.00 0.00 O ATOM 387 CB ASP A 28 -19.407 -7.742 15.782 1.00 0.00 C ATOM 388 CG ASP A 28 -20.862 -8.154 16.094 1.00 0.00 C ATOM 389 OD1 ASP A 28 -21.499 -8.885 15.301 1.00 0.00 O ATOM 390 OD2 ASP A 28 -21.378 -7.687 17.138 1.00 0.00 O ATOM 0 H ASP A 28 -20.240 -8.445 13.589 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.638 -8.186 14.578 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.870 -7.668 16.728 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -19.428 -6.742 15.348 1.00 0.00 H new ATOM 395 N GLU A 29 -19.031 -11.002 15.386 1.00 0.00 N ATOM 396 CA GLU A 29 -18.811 -12.302 16.035 1.00 0.00 C ATOM 397 C GLU A 29 -17.939 -13.237 15.175 1.00 0.00 C ATOM 398 O GLU A 29 -17.253 -14.110 15.713 1.00 0.00 O ATOM 399 CB GLU A 29 -20.138 -12.967 16.433 1.00 0.00 C ATOM 400 CG GLU A 29 -21.171 -11.985 17.004 1.00 0.00 C ATOM 401 CD GLU A 29 -22.151 -12.697 17.949 1.00 0.00 C ATOM 402 OE1 GLU A 29 -23.163 -13.264 17.473 1.00 0.00 O ATOM 403 OE2 GLU A 29 -21.914 -12.700 19.180 1.00 0.00 O ATOM 0 H GLU A 29 -19.850 -10.981 14.778 1.00 0.00 H new ATOM 0 HA GLU A 29 -18.256 -12.110 16.953 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -20.563 -13.461 15.560 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -19.939 -13.742 17.173 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -20.659 -11.186 17.541 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -21.723 -11.518 16.188 1.00 0.00 H new ATOM 410 N GLY A 30 -17.915 -13.021 13.852 1.00 0.00 N ATOM 411 CA GLY A 30 -17.019 -13.668 12.886 1.00 0.00 C ATOM 412 C GLY A 30 -17.775 -14.499 11.857 1.00 0.00 C ATOM 413 O GLY A 30 -17.171 -15.320 11.168 1.00 0.00 O ATOM 0 H GLY A 30 -18.550 -12.359 13.407 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.432 -12.906 12.373 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.316 -14.307 13.419 1.00 0.00 H new ATOM 417 N VAL A 31 -19.084 -14.290 11.768 1.00 0.00 N ATOM 418 CA VAL A 31 -20.037 -15.062 10.982 1.00 0.00 C ATOM 419 C VAL A 31 -20.035 -14.556 9.541 1.00 0.00 C ATOM 420 O VAL A 31 -19.948 -13.356 9.292 1.00 0.00 O ATOM 421 CB VAL A 31 -21.454 -14.940 11.574 1.00 0.00 C ATOM 422 CG1 VAL A 31 -22.351 -16.030 11.008 1.00 0.00 C ATOM 423 CG2 VAL A 31 -21.509 -15.068 13.111 1.00 0.00 C ATOM 0 H VAL A 31 -19.535 -13.529 12.275 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.742 -16.111 11.004 1.00 0.00 H new ATOM 0 HB VAL A 31 -21.789 -13.939 11.301 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -23.351 -15.936 11.432 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -22.406 -15.930 9.924 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.940 -17.007 11.261 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -22.541 -14.971 13.447 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -21.120 -16.042 13.409 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -20.904 -14.282 13.563 1.00 0.00 H new ATOM 433 N GLU A 32 -20.127 -15.492 8.605 1.00 0.00 N ATOM 434 CA GLU A 32 -19.965 -15.284 7.164 1.00 0.00 C ATOM 435 C GLU A 32 -21.269 -14.761 6.542 1.00 0.00 C ATOM 436 O GLU A 32 -22.330 -15.371 6.701 1.00 0.00 O ATOM 437 CB GLU A 32 -19.565 -16.616 6.506 1.00 0.00 C ATOM 438 CG GLU A 32 -18.207 -17.150 6.991 1.00 0.00 C ATOM 439 CD GLU A 32 -17.931 -18.546 6.411 1.00 0.00 C ATOM 440 OE1 GLU A 32 -18.454 -19.544 6.961 1.00 0.00 O ATOM 441 OE2 GLU A 32 -17.185 -18.659 5.411 1.00 0.00 O ATOM 0 H GLU A 32 -20.326 -16.465 8.837 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.186 -14.541 6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.335 -17.360 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.530 -16.483 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.414 -16.464 6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.197 -17.195 8.080 1.00 0.00 H new ATOM 448 N LEU A 33 -21.190 -13.629 5.830 1.00 0.00 N ATOM 449 CA LEU A 33 -22.358 -12.893 5.325 1.00 0.00 C ATOM 450 C LEU A 33 -22.485 -12.987 3.803 1.00 0.00 C ATOM 451 O LEU A 33 -23.536 -13.367 3.284 1.00 0.00 O ATOM 452 CB LEU A 33 -22.250 -11.419 5.759 1.00 0.00 C ATOM 453 CG LEU A 33 -22.010 -11.204 7.263 1.00 0.00 C ATOM 454 CD1 LEU A 33 -21.856 -9.707 7.509 1.00 0.00 C ATOM 455 CD2 LEU A 33 -23.146 -11.771 8.120 1.00 0.00 C ATOM 0 H LEU A 33 -20.301 -13.192 5.585 1.00 0.00 H new ATOM 0 HA LEU A 33 -23.254 -13.346 5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.436 -10.951 5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -23.167 -10.903 5.475 1.00 0.00 H new ATOM 0 HG LEU A 33 -21.106 -11.739 7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -21.685 -9.528 8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -21.009 -9.329 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -22.764 -9.192 7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -22.930 -11.594 9.174 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -24.082 -11.280 7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -23.235 -12.843 7.943 1.00 0.00 H new ATOM 467 N GLY A 34 -21.403 -12.639 3.100 1.00 0.00 N ATOM 468 CA GLY A 34 -21.315 -12.654 1.634 1.00 0.00 C ATOM 469 C GLY A 34 -19.908 -12.924 1.110 1.00 0.00 C ATOM 470 O GLY A 34 -18.928 -12.405 1.643 1.00 0.00 O ATOM 0 H GLY A 34 -20.539 -12.330 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.991 -13.416 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.660 -11.695 1.248 1.00 0.00 H new ATOM 474 N SER A 35 -19.807 -13.714 0.045 1.00 0.00 N ATOM 475 CA SER A 35 -18.553 -14.051 -0.644 1.00 0.00 C ATOM 476 C SER A 35 -18.246 -13.087 -1.807 1.00 0.00 C ATOM 477 O SER A 35 -19.146 -12.636 -2.524 1.00 0.00 O ATOM 478 CB SER A 35 -18.615 -15.507 -1.139 1.00 0.00 C ATOM 479 OG SER A 35 -19.788 -15.777 -1.905 1.00 0.00 O ATOM 0 H SER A 35 -20.622 -14.156 -0.382 1.00 0.00 H new ATOM 0 HA SER A 35 -17.737 -13.944 0.070 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.734 -15.719 -1.744 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.582 -16.180 -0.282 1.00 0.00 H new ATOM 0 HG SER A 35 -19.780 -16.712 -2.197 1.00 0.00 H new ATOM 485 N GLY A 36 -16.960 -12.778 -2.003 1.00 0.00 N ATOM 486 CA GLY A 36 -16.455 -11.867 -3.035 1.00 0.00 C ATOM 487 C GLY A 36 -14.990 -12.119 -3.390 1.00 0.00 C ATOM 488 O GLY A 36 -14.293 -12.880 -2.714 1.00 0.00 O ATOM 0 H GLY A 36 -16.215 -13.170 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.064 -11.971 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.568 -10.839 -2.691 1.00 0.00 H new ATOM 492 N VAL A 37 -14.507 -11.450 -4.434 1.00 0.00 N ATOM 493 CA VAL A 37 -13.084 -11.427 -4.800 1.00 0.00 C ATOM 494 C VAL A 37 -12.581 -9.991 -4.727 1.00 0.00 C ATOM 495 O VAL A 37 -13.068 -9.119 -5.443 1.00 0.00 O ATOM 496 CB VAL A 37 -12.831 -12.020 -6.203 1.00 0.00 C ATOM 497 CG1 VAL A 37 -11.324 -12.176 -6.444 1.00 0.00 C ATOM 498 CG2 VAL A 37 -13.512 -13.384 -6.383 1.00 0.00 C ATOM 0 H VAL A 37 -15.096 -10.901 -5.060 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.537 -12.053 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.259 -11.328 -6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.156 -12.595 -7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.842 -11.201 -6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.902 -12.843 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.307 -13.764 -7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.125 -14.084 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.588 -13.274 -6.250 1.00 0.00 H new ATOM 508 N MET A 38 -11.592 -9.753 -3.866 1.00 0.00 N ATOM 509 CA MET A 38 -10.896 -8.474 -3.750 1.00 0.00 C ATOM 510 C MET A 38 -9.798 -8.394 -4.811 1.00 0.00 C ATOM 511 O MET A 38 -9.026 -9.334 -4.996 1.00 0.00 O ATOM 512 CB MET A 38 -10.339 -8.311 -2.325 1.00 0.00 C ATOM 513 CG MET A 38 -9.812 -6.892 -2.079 1.00 0.00 C ATOM 514 SD MET A 38 -11.096 -5.613 -2.037 1.00 0.00 S ATOM 515 CE MET A 38 -11.558 -5.743 -0.290 1.00 0.00 C ATOM 0 H MET A 38 -11.246 -10.459 -3.217 1.00 0.00 H new ATOM 0 HA MET A 38 -11.589 -7.651 -3.925 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.121 -8.539 -1.601 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.536 -9.030 -2.164 1.00 0.00 H new ATOM 0 HG2 MET A 38 -9.271 -6.877 -1.133 1.00 0.00 H new ATOM 0 HG3 MET A 38 -9.094 -6.644 -2.861 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.515 -5.247 -0.129 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.642 -6.794 -0.013 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.795 -5.266 0.325 1.00 0.00 H new ATOM 525 N GLU A 39 -9.724 -7.264 -5.503 1.00 0.00 N ATOM 526 CA GLU A 39 -8.729 -6.968 -6.522 1.00 0.00 C ATOM 527 C GLU A 39 -8.058 -5.636 -6.186 1.00 0.00 C ATOM 528 O GLU A 39 -8.725 -4.632 -5.897 1.00 0.00 O ATOM 529 CB GLU A 39 -9.372 -6.964 -7.917 1.00 0.00 C ATOM 530 CG GLU A 39 -8.331 -6.757 -9.028 1.00 0.00 C ATOM 531 CD GLU A 39 -8.935 -6.873 -10.438 1.00 0.00 C ATOM 532 OE1 GLU A 39 -10.066 -6.381 -10.660 1.00 0.00 O ATOM 533 OE2 GLU A 39 -8.272 -7.455 -11.329 1.00 0.00 O ATOM 0 H GLU A 39 -10.383 -6.498 -5.363 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.962 -7.743 -6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.893 -7.908 -8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.121 -6.173 -7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.874 -5.774 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.535 -7.494 -8.916 1.00 0.00 H new ATOM 540 N LEU A 40 -6.724 -5.666 -6.214 1.00 0.00 N ATOM 541 CA LEU A 40 -5.829 -4.531 -6.010 1.00 0.00 C ATOM 542 C LEU A 40 -5.292 -4.106 -7.385 1.00 0.00 C ATOM 543 O LEU A 40 -4.625 -4.894 -8.065 1.00 0.00 O ATOM 544 CB LEU A 40 -4.662 -4.931 -5.079 1.00 0.00 C ATOM 545 CG LEU A 40 -4.936 -5.031 -3.563 1.00 0.00 C ATOM 546 CD1 LEU A 40 -5.950 -6.123 -3.204 1.00 0.00 C ATOM 547 CD2 LEU A 40 -3.620 -5.343 -2.836 1.00 0.00 C ATOM 0 H LEU A 40 -6.214 -6.532 -6.389 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.363 -3.705 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.287 -5.898 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.858 -4.209 -5.225 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.356 -4.074 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.098 -6.141 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.899 -5.914 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.575 -7.091 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.805 -5.415 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.219 -6.289 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.901 -4.546 -3.027 1.00 0.00 H new ATOM 559 N THR A 41 -5.568 -2.865 -7.797 1.00 0.00 N ATOM 560 CA THR A 41 -5.088 -2.265 -9.060 1.00 0.00 C ATOM 561 C THR A 41 -4.303 -0.989 -8.775 1.00 0.00 C ATOM 562 O THR A 41 -4.285 -0.503 -7.647 1.00 0.00 O ATOM 563 CB THR A 41 -6.246 -1.972 -10.029 1.00 0.00 C ATOM 564 OG1 THR A 41 -6.978 -0.880 -9.524 1.00 0.00 O ATOM 565 CG2 THR A 41 -7.183 -3.163 -10.236 1.00 0.00 C ATOM 0 H THR A 41 -6.147 -2.227 -7.251 1.00 0.00 H new ATOM 0 HA THR A 41 -4.431 -2.990 -9.540 1.00 0.00 H new ATOM 0 HB THR A 41 -5.812 -1.751 -11.004 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.323 -1.101 -8.634 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.976 -2.886 -10.931 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.620 -4.002 -10.644 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.622 -3.451 -9.281 1.00 0.00 H new ATOM 573 N GLN A 42 -3.691 -0.393 -9.797 1.00 0.00 N ATOM 574 CA GLN A 42 -3.039 0.917 -9.671 1.00 0.00 C ATOM 575 C GLN A 42 -4.042 2.093 -9.600 1.00 0.00 C ATOM 576 O GLN A 42 -3.619 3.246 -9.508 1.00 0.00 O ATOM 577 CB GLN A 42 -2.007 1.099 -10.799 1.00 0.00 C ATOM 578 CG GLN A 42 -0.825 0.123 -10.662 1.00 0.00 C ATOM 579 CD GLN A 42 0.249 0.367 -11.727 1.00 0.00 C ATOM 580 OE1 GLN A 42 0.027 0.215 -12.924 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.455 0.744 -11.347 1.00 0.00 N ATOM 0 H GLN A 42 -3.631 -0.798 -10.731 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.517 0.934 -8.714 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.493 0.947 -11.763 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.635 2.123 -10.788 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.383 0.226 -9.671 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.189 -0.901 -10.743 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.660 0.876 -10.356 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.183 0.904 -12.044 1.00 0.00 H new ATOM 590 N SER A 43 -5.359 1.841 -9.604 1.00 0.00 N ATOM 591 CA SER A 43 -6.395 2.877 -9.454 1.00 0.00 C ATOM 592 C SER A 43 -7.099 2.847 -8.084 1.00 0.00 C ATOM 593 O SER A 43 -7.234 3.908 -7.468 1.00 0.00 O ATOM 594 CB SER A 43 -7.408 2.808 -10.610 1.00 0.00 C ATOM 595 OG SER A 43 -8.061 1.549 -10.702 1.00 0.00 O ATOM 0 H SER A 43 -5.741 0.901 -9.713 1.00 0.00 H new ATOM 0 HA SER A 43 -5.880 3.837 -9.499 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.156 3.590 -10.478 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.894 3.014 -11.549 1.00 0.00 H new ATOM 0 HG SER A 43 -7.578 0.890 -10.161 1.00 0.00 H new ATOM 601 N GLU A 44 -7.515 1.675 -7.576 1.00 0.00 N ATOM 602 CA GLU A 44 -8.303 1.527 -6.338 1.00 0.00 C ATOM 603 C GLU A 44 -8.484 0.056 -5.908 1.00 0.00 C ATOM 604 O GLU A 44 -8.133 -0.871 -6.643 1.00 0.00 O ATOM 605 CB GLU A 44 -9.672 2.237 -6.475 1.00 0.00 C ATOM 606 CG GLU A 44 -10.611 1.681 -7.554 1.00 0.00 C ATOM 607 CD GLU A 44 -11.850 2.576 -7.753 1.00 0.00 C ATOM 608 OE1 GLU A 44 -12.324 3.213 -6.782 1.00 0.00 O ATOM 609 OE2 GLU A 44 -12.364 2.641 -8.895 1.00 0.00 O ATOM 0 H GLU A 44 -7.309 0.782 -8.024 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.732 2.009 -5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.184 2.186 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.493 3.292 -6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.070 1.594 -8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.930 0.676 -7.276 1.00 0.00 H new ATOM 616 N LEU A 45 -9.071 -0.172 -4.724 1.00 0.00 N ATOM 617 CA LEU A 45 -9.522 -1.499 -4.285 1.00 0.00 C ATOM 618 C LEU A 45 -10.914 -1.783 -4.860 1.00 0.00 C ATOM 619 O LEU A 45 -11.775 -0.903 -4.824 1.00 0.00 O ATOM 620 CB LEU A 45 -9.575 -1.566 -2.742 1.00 0.00 C ATOM 621 CG LEU A 45 -8.291 -2.050 -2.054 1.00 0.00 C ATOM 622 CD1 LEU A 45 -8.488 -2.105 -0.535 1.00 0.00 C ATOM 623 CD2 LEU A 45 -7.884 -3.452 -2.512 1.00 0.00 C ATOM 0 H LEU A 45 -9.247 0.564 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.817 -2.248 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.818 -0.574 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.392 -2.227 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.511 -1.339 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.569 -2.450 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.736 -1.111 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.299 -2.794 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.970 -3.752 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.681 -4.157 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.710 -3.447 -3.588 1.00 0.00 H new ATOM 635 N VAL A 46 -11.138 -3.003 -5.361 1.00 0.00 N ATOM 636 CA VAL A 46 -12.414 -3.428 -5.976 1.00 0.00 C ATOM 637 C VAL A 46 -12.849 -4.812 -5.477 1.00 0.00 C ATOM 638 O VAL A 46 -12.070 -5.758 -5.534 1.00 0.00 O ATOM 639 CB VAL A 46 -12.312 -3.441 -7.524 1.00 0.00 C ATOM 640 CG1 VAL A 46 -13.630 -3.891 -8.184 1.00 0.00 C ATOM 641 CG2 VAL A 46 -11.930 -2.060 -8.088 1.00 0.00 C ATOM 0 H VAL A 46 -10.431 -3.739 -5.354 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.168 -2.700 -5.676 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.526 -4.158 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.515 -3.886 -9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.878 -4.899 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.431 -3.207 -7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.870 -2.115 -9.175 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.686 -1.329 -7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.963 -1.758 -7.686 1.00 0.00 H new ATOM 651 N LEU A 47 -14.108 -4.939 -5.043 1.00 0.00 N ATOM 652 CA LEU A 47 -14.784 -6.208 -4.754 1.00 0.00 C ATOM 653 C LEU A 47 -15.691 -6.600 -5.920 1.00 0.00 C ATOM 654 O LEU A 47 -16.593 -5.855 -6.315 1.00 0.00 O ATOM 655 CB LEU A 47 -15.650 -6.119 -3.485 1.00 0.00 C ATOM 656 CG LEU A 47 -14.888 -6.178 -2.158 1.00 0.00 C ATOM 657 CD1 LEU A 47 -15.882 -5.900 -1.024 1.00 0.00 C ATOM 658 CD2 LEU A 47 -14.216 -7.522 -1.859 1.00 0.00 C ATOM 0 H LEU A 47 -14.706 -4.130 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.005 -6.955 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -16.216 -5.188 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.375 -6.933 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.092 -5.438 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.362 -5.937 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -16.322 -4.912 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.670 -6.653 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.702 -7.466 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.972 -8.306 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.495 -7.751 -2.644 1.00 0.00 H new ATOM 670 N HIS A 48 -15.473 -7.824 -6.386 1.00 0.00 N ATOM 671 CA HIS A 48 -16.267 -8.549 -7.378 1.00 0.00 C ATOM 672 C HIS A 48 -17.166 -9.603 -6.702 1.00 0.00 C ATOM 673 O HIS A 48 -16.686 -10.344 -5.838 1.00 0.00 O ATOM 674 CB HIS A 48 -15.296 -9.222 -8.357 1.00 0.00 C ATOM 675 CG HIS A 48 -14.432 -8.258 -9.125 1.00 0.00 C ATOM 676 ND1 HIS A 48 -14.880 -7.380 -10.112 1.00 0.00 N ATOM 677 CD2 HIS A 48 -13.080 -8.126 -8.986 1.00 0.00 C ATOM 678 CE1 HIS A 48 -13.782 -6.736 -10.544 1.00 0.00 C ATOM 679 NE2 HIS A 48 -12.687 -7.163 -9.890 1.00 0.00 N ATOM 0 H HIS A 48 -14.681 -8.378 -6.059 1.00 0.00 H new ATOM 0 HA HIS A 48 -16.922 -7.856 -7.907 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.654 -9.906 -7.803 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.868 -9.823 -9.064 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.444 -8.669 -8.302 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -13.779 -5.978 -11.313 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.733 -6.832 -10.037 1.00 0.00 H new ATOM 687 N LEU A 49 -18.448 -9.675 -7.083 1.00 0.00 N ATOM 688 CA LEU A 49 -19.455 -10.577 -6.504 1.00 0.00 C ATOM 689 C LEU A 49 -20.273 -11.280 -7.601 1.00 0.00 C ATOM 690 O LEU A 49 -20.526 -10.717 -8.666 1.00 0.00 O ATOM 691 CB LEU A 49 -20.425 -9.793 -5.597 1.00 0.00 C ATOM 692 CG LEU A 49 -19.880 -9.191 -4.282 1.00 0.00 C ATOM 693 CD1 LEU A 49 -19.197 -7.825 -4.471 1.00 0.00 C ATOM 694 CD2 LEU A 49 -21.059 -8.989 -3.317 1.00 0.00 C ATOM 0 H LEU A 49 -18.826 -9.088 -7.827 1.00 0.00 H new ATOM 0 HA LEU A 49 -18.919 -11.325 -5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -20.844 -8.978 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -21.250 -10.458 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 49 -19.133 -9.887 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -18.838 -7.461 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -18.355 -7.931 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -19.913 -7.114 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -20.695 -8.564 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -21.784 -8.310 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -21.535 -9.949 -3.118 1.00 0.00 H new ATOM 786 N ALA A 54 -20.902 -4.486 -7.793 1.00 0.00 N ATOM 787 CA ALA A 54 -19.500 -4.326 -7.393 1.00 0.00 C ATOM 788 C ALA A 54 -19.301 -3.118 -6.454 1.00 0.00 C ATOM 789 O ALA A 54 -20.044 -2.134 -6.516 1.00 0.00 O ATOM 790 CB ALA A 54 -18.645 -4.212 -8.663 1.00 0.00 C ATOM 0 HA ALA A 54 -19.185 -5.198 -6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.597 -4.092 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -18.761 -5.115 -9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.968 -3.348 -9.243 1.00 0.00 H new ATOM 796 N VAL A 55 -18.269 -3.176 -5.607 1.00 0.00 N ATOM 797 CA VAL A 55 -17.988 -2.162 -4.568 1.00 0.00 C ATOM 798 C VAL A 55 -16.520 -1.747 -4.619 1.00 0.00 C ATOM 799 O VAL A 55 -15.659 -2.610 -4.755 1.00 0.00 O ATOM 800 CB VAL A 55 -18.358 -2.657 -3.149 1.00 0.00 C ATOM 801 CG1 VAL A 55 -18.169 -1.540 -2.111 1.00 0.00 C ATOM 802 CG2 VAL A 55 -19.819 -3.137 -3.067 1.00 0.00 C ATOM 0 H VAL A 55 -17.591 -3.938 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 55 -18.616 -1.297 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 55 -17.691 -3.492 -2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.436 -1.913 -1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -17.128 -1.218 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -18.809 -0.695 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -20.034 -3.475 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -20.487 -2.315 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.971 -3.961 -3.764 1.00 0.00 H new ATOM 812 N ARG A 56 -16.238 -0.440 -4.534 1.00 0.00 N ATOM 813 CA ARG A 56 -14.893 0.119 -4.713 1.00 0.00 C ATOM 814 C ARG A 56 -14.519 1.153 -3.640 1.00 0.00 C ATOM 815 O ARG A 56 -15.385 1.866 -3.125 1.00 0.00 O ATOM 816 CB ARG A 56 -14.728 0.762 -6.104 1.00 0.00 C ATOM 817 CG ARG A 56 -15.204 -0.049 -7.322 1.00 0.00 C ATOM 818 CD ARG A 56 -16.683 0.185 -7.668 1.00 0.00 C ATOM 819 NE ARG A 56 -17.039 -0.387 -8.979 1.00 0.00 N ATOM 820 CZ ARG A 56 -16.863 0.183 -10.169 1.00 0.00 C ATOM 821 NH1 ARG A 56 -16.262 1.347 -10.310 1.00 0.00 N ATOM 822 NH2 ARG A 56 -17.298 -0.422 -11.252 1.00 0.00 N ATOM 0 H ARG A 56 -16.947 0.267 -4.337 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.216 -0.729 -4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.264 1.711 -6.102 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.672 0.992 -6.245 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.591 0.211 -8.185 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.047 -1.110 -7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -17.311 -0.259 -6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.890 1.255 -7.671 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.464 -1.314 -8.974 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.913 1.843 -9.490 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.146 1.752 -11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.768 -1.324 -11.178 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.165 0.011 -12.166 1.00 0.00 H new ATOM 836 N TRP A 57 -13.216 1.278 -3.362 1.00 0.00 N ATOM 837 CA TRP A 57 -12.639 2.235 -2.405 1.00 0.00 C ATOM 838 C TRP A 57 -11.298 2.812 -2.909 1.00 0.00 C ATOM 839 O TRP A 57 -10.352 2.036 -3.086 1.00 0.00 O ATOM 840 CB TRP A 57 -12.416 1.544 -1.053 1.00 0.00 C ATOM 841 CG TRP A 57 -13.643 1.081 -0.336 1.00 0.00 C ATOM 842 CD1 TRP A 57 -14.424 1.827 0.476 1.00 0.00 C ATOM 843 CD2 TRP A 57 -14.235 -0.251 -0.336 1.00 0.00 C ATOM 844 NE1 TRP A 57 -15.439 1.047 0.993 1.00 0.00 N ATOM 845 CE2 TRP A 57 -15.339 -0.260 0.569 1.00 0.00 C ATOM 846 CE3 TRP A 57 -13.924 -1.458 -0.996 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -16.054 -1.432 0.861 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -14.662 -2.625 -0.739 1.00 0.00 C ATOM 849 CH2 TRP A 57 -15.706 -2.620 0.203 1.00 0.00 C ATOM 0 H TRP A 57 -12.508 0.697 -3.811 1.00 0.00 H new ATOM 0 HA TRP A 57 -13.344 3.059 -2.296 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.767 0.683 -1.212 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.878 2.233 -0.401 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -14.276 2.876 0.689 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -16.172 1.395 1.612 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -13.111 -1.485 -1.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.859 -1.419 1.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.425 -3.535 -1.270 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.241 -3.533 0.420 1.00 0.00 H new ATOM 860 N PRO A 58 -11.174 4.145 -3.101 1.00 0.00 N ATOM 861 CA PRO A 58 -9.911 4.781 -3.471 1.00 0.00 C ATOM 862 C PRO A 58 -8.913 4.697 -2.318 1.00 0.00 C ATOM 863 O PRO A 58 -9.291 4.806 -1.154 1.00 0.00 O ATOM 864 CB PRO A 58 -10.254 6.239 -3.789 1.00 0.00 C ATOM 865 CG PRO A 58 -11.496 6.508 -2.944 1.00 0.00 C ATOM 866 CD PRO A 58 -12.212 5.158 -2.942 1.00 0.00 C ATOM 0 HA PRO A 58 -9.447 4.288 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.437 6.910 -3.525 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.453 6.382 -4.851 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.236 6.828 -1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.116 7.293 -3.377 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.761 5.010 -2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.938 5.102 -3.753 1.00 0.00 H new ATOM 874 N TYR A 59 -7.624 4.560 -2.632 1.00 0.00 N ATOM 875 CA TYR A 59 -6.565 4.454 -1.617 1.00 0.00 C ATOM 876 C TYR A 59 -6.473 5.681 -0.685 1.00 0.00 C ATOM 877 O TYR A 59 -6.045 5.557 0.464 1.00 0.00 O ATOM 878 CB TYR A 59 -5.233 4.173 -2.326 1.00 0.00 C ATOM 879 CG TYR A 59 -5.192 2.848 -3.072 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.379 1.638 -2.374 1.00 0.00 C ATOM 881 CD2 TYR A 59 -4.969 2.819 -4.464 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.364 0.412 -3.058 1.00 0.00 C ATOM 883 CE2 TYR A 59 -4.933 1.591 -5.151 1.00 0.00 C ATOM 884 CZ TYR A 59 -5.148 0.382 -4.448 1.00 0.00 C ATOM 885 OH TYR A 59 -5.151 -0.812 -5.097 1.00 0.00 O ATOM 0 H TYR A 59 -7.282 4.519 -3.592 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.816 3.626 -0.954 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.032 4.980 -3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.431 4.187 -1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.535 1.654 -1.305 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.825 3.743 -5.005 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.519 -0.510 -2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.741 1.572 -6.214 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.774 -0.698 -5.994 1.00 0.00 H new ATOM 895 N LEU A 60 -6.969 6.841 -1.135 1.00 0.00 N ATOM 896 CA LEU A 60 -7.102 8.080 -0.382 1.00 0.00 C ATOM 897 C LEU A 60 -8.063 7.961 0.809 1.00 0.00 C ATOM 898 O LEU A 60 -7.759 8.459 1.892 1.00 0.00 O ATOM 899 CB LEU A 60 -7.540 9.125 -1.406 1.00 0.00 C ATOM 900 CG LEU A 60 -7.827 10.513 -0.826 1.00 0.00 C ATOM 901 CD1 LEU A 60 -6.722 11.145 0.030 1.00 0.00 C ATOM 902 CD2 LEU A 60 -8.117 11.447 -1.996 1.00 0.00 C ATOM 0 H LEU A 60 -7.306 6.938 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.160 8.360 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.763 9.218 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.437 8.765 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.663 10.375 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.048 12.124 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.514 10.504 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.817 11.256 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.327 12.448 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.251 11.482 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.981 11.079 -2.549 1.00 0.00 H new ATOM 914 N CYS A 61 -9.203 7.281 0.632 1.00 0.00 N ATOM 915 CA CYS A 61 -10.177 7.111 1.727 1.00 0.00 C ATOM 916 C CYS A 61 -9.729 6.113 2.813 1.00 0.00 C ATOM 917 O CYS A 61 -10.320 6.092 3.895 1.00 0.00 O ATOM 918 CB CYS A 61 -11.577 6.797 1.168 1.00 0.00 C ATOM 919 SG CYS A 61 -11.780 5.033 0.781 1.00 0.00 S ATOM 0 H CYS A 61 -9.475 6.842 -0.248 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.231 8.067 2.247 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.332 7.097 1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.748 7.387 0.268 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.843 4.658 -0.038 1.00 0.00 H new ATOM 925 N LEU A 62 -8.699 5.300 2.548 1.00 0.00 N ATOM 926 CA LEU A 62 -8.210 4.249 3.442 1.00 0.00 C ATOM 927 C LEU A 62 -7.228 4.826 4.473 1.00 0.00 C ATOM 928 O LEU A 62 -6.007 4.769 4.301 1.00 0.00 O ATOM 929 CB LEU A 62 -7.595 3.099 2.618 1.00 0.00 C ATOM 930 CG LEU A 62 -8.531 2.452 1.578 1.00 0.00 C ATOM 931 CD1 LEU A 62 -7.752 1.380 0.809 1.00 0.00 C ATOM 932 CD2 LEU A 62 -9.781 1.832 2.213 1.00 0.00 C ATOM 0 H LEU A 62 -8.169 5.359 1.679 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.047 3.835 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.713 3.477 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.254 2.325 3.305 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.875 3.237 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.405 0.915 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.902 1.840 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.394 0.621 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.404 1.391 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.484 1.059 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.345 2.605 2.735 1.00 0.00 H new ATOM 944 N ARG A 63 -7.766 5.365 5.573 1.00 0.00 N ATOM 945 CA ARG A 63 -6.980 5.921 6.685 1.00 0.00 C ATOM 946 C ARG A 63 -6.113 4.856 7.385 1.00 0.00 C ATOM 947 O ARG A 63 -5.042 5.182 7.898 1.00 0.00 O ATOM 948 CB ARG A 63 -7.951 6.588 7.680 1.00 0.00 C ATOM 949 CG ARG A 63 -7.314 7.180 8.952 1.00 0.00 C ATOM 950 CD ARG A 63 -6.259 8.273 8.715 1.00 0.00 C ATOM 951 NE ARG A 63 -6.855 9.577 8.368 1.00 0.00 N ATOM 952 CZ ARG A 63 -7.263 10.513 9.221 1.00 0.00 C ATOM 953 NH1 ARG A 63 -7.292 10.320 10.523 1.00 0.00 N ATOM 954 NH2 ARG A 63 -7.628 11.695 8.783 1.00 0.00 N ATOM 0 H ARG A 63 -8.773 5.429 5.720 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.283 6.658 6.287 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.483 7.385 7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.696 5.851 7.980 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.106 7.593 9.576 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.853 6.370 9.517 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.650 8.384 9.612 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.591 7.959 7.913 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.965 9.782 7.375 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.994 9.426 10.913 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.612 11.065 11.142 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.600 11.900 7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.940 12.409 9.441 1.00 0.00 H new ATOM 968 N ARG A 64 -6.573 3.599 7.406 1.00 0.00 N ATOM 969 CA ARG A 64 -6.005 2.496 8.192 1.00 0.00 C ATOM 970 C ARG A 64 -6.371 1.150 7.543 1.00 0.00 C ATOM 971 O ARG A 64 -7.546 0.906 7.261 1.00 0.00 O ATOM 972 CB ARG A 64 -6.526 2.633 9.640 1.00 0.00 C ATOM 973 CG ARG A 64 -5.992 1.565 10.601 1.00 0.00 C ATOM 974 CD ARG A 64 -6.540 1.679 12.030 1.00 0.00 C ATOM 975 NE ARG A 64 -7.964 1.313 12.095 1.00 0.00 N ATOM 976 CZ ARG A 64 -8.994 2.125 12.305 1.00 0.00 C ATOM 977 NH1 ARG A 64 -8.868 3.417 12.512 1.00 0.00 N ATOM 978 NH2 ARG A 64 -10.214 1.652 12.287 1.00 0.00 N ATOM 0 H ARG A 64 -7.382 3.311 6.855 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.916 2.536 8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.254 3.618 10.021 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.615 2.585 9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.239 0.580 10.206 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.905 1.632 10.634 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.967 1.031 12.693 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.409 2.699 12.390 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.185 0.326 11.964 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.942 3.845 12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.696 3.992 12.668 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.374 0.660 12.112 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.005 2.275 12.448 1.00 0.00 H new ATOM 992 N TYR A 65 -5.378 0.287 7.304 1.00 0.00 N ATOM 993 CA TYR A 65 -5.514 -1.005 6.601 1.00 0.00 C ATOM 994 C TYR A 65 -4.678 -2.102 7.293 1.00 0.00 C ATOM 995 O TYR A 65 -3.451 -2.135 7.204 1.00 0.00 O ATOM 996 CB TYR A 65 -5.164 -0.835 5.107 1.00 0.00 C ATOM 997 CG TYR A 65 -3.753 -0.350 4.783 1.00 0.00 C ATOM 998 CD1 TYR A 65 -3.441 1.022 4.860 1.00 0.00 C ATOM 999 CD2 TYR A 65 -2.745 -1.268 4.413 1.00 0.00 C ATOM 1000 CE1 TYR A 65 -2.134 1.468 4.594 1.00 0.00 C ATOM 1001 CE2 TYR A 65 -1.434 -0.827 4.148 1.00 0.00 C ATOM 1002 CZ TYR A 65 -1.125 0.549 4.240 1.00 0.00 C ATOM 1003 OH TYR A 65 0.141 1.002 4.016 1.00 0.00 O ATOM 0 H TYR A 65 -4.420 0.470 7.603 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.551 -1.335 6.653 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.316 -1.794 4.611 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.874 -0.133 4.669 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.209 1.734 5.124 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.982 -2.319 4.333 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.902 2.521 4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.668 -1.538 3.876 1.00 0.00 H new ATOM 0 HH TYR A 65 0.785 0.303 4.253 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.353 -2.997 8.019 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.748 -3.966 8.936 1.00 0.00 C ATOM 1015 C GLY A 66 -4.896 -5.416 8.491 1.00 0.00 C ATOM 1016 O GLY A 66 -5.693 -5.748 7.610 1.00 0.00 O ATOM 0 H GLY A 66 -6.370 -3.069 7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.688 -3.736 9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.201 -3.851 9.921 1.00 0.00 H new ATOM 1020 N TYR A 67 -4.135 -6.285 9.153 1.00 0.00 N ATOM 1021 CA TYR A 67 -4.100 -7.722 8.882 1.00 0.00 C ATOM 1022 C TYR A 67 -3.902 -8.563 10.163 1.00 0.00 C ATOM 1023 O TYR A 67 -3.391 -8.085 11.181 1.00 0.00 O ATOM 1024 CB TYR A 67 -3.008 -8.009 7.833 1.00 0.00 C ATOM 1025 CG TYR A 67 -1.610 -8.143 8.413 1.00 0.00 C ATOM 1026 CD1 TYR A 67 -0.908 -7.001 8.848 1.00 0.00 C ATOM 1027 CD2 TYR A 67 -1.032 -9.418 8.565 1.00 0.00 C ATOM 1028 CE1 TYR A 67 0.371 -7.128 9.421 1.00 0.00 C ATOM 1029 CE2 TYR A 67 0.250 -9.552 9.133 1.00 0.00 C ATOM 1030 CZ TYR A 67 0.958 -8.407 9.558 1.00 0.00 C ATOM 1031 OH TYR A 67 2.199 -8.541 10.106 1.00 0.00 O ATOM 0 H TYR A 67 -3.511 -6.004 9.910 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.069 -8.022 8.484 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.260 -8.928 7.304 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.008 -7.207 7.095 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.354 -6.023 8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.573 -10.296 8.245 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.903 -6.250 9.756 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.692 -10.531 9.243 1.00 0.00 H new ATOM 0 HH TYR A 67 2.448 -9.489 10.125 1.00 0.00 H new ATOM 1041 N ASP A 68 -4.284 -9.837 10.087 1.00 0.00 N ATOM 1042 CA ASP A 68 -4.137 -10.867 11.119 1.00 0.00 C ATOM 1043 C ASP A 68 -4.017 -12.257 10.451 1.00 0.00 C ATOM 1044 O ASP A 68 -4.108 -12.376 9.229 1.00 0.00 O ATOM 1045 CB ASP A 68 -5.341 -10.790 12.082 1.00 0.00 C ATOM 1046 CG ASP A 68 -5.158 -11.541 13.415 1.00 0.00 C ATOM 1047 OD1 ASP A 68 -4.024 -11.968 13.738 1.00 0.00 O ATOM 1048 OD2 ASP A 68 -6.167 -11.706 14.140 1.00 0.00 O ATOM 0 H ASP A 68 -4.734 -10.203 9.248 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.229 -10.702 11.699 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.548 -9.742 12.298 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.219 -11.190 11.575 1.00 0.00 H new ATOM 1053 N SER A 69 -3.825 -13.320 11.233 1.00 0.00 N ATOM 1054 CA SER A 69 -3.542 -14.687 10.750 1.00 0.00 C ATOM 1055 C SER A 69 -4.632 -15.330 9.861 1.00 0.00 C ATOM 1056 O SER A 69 -4.374 -16.353 9.222 1.00 0.00 O ATOM 1057 CB SER A 69 -3.266 -15.601 11.954 1.00 0.00 C ATOM 1058 OG SER A 69 -2.204 -15.098 12.759 1.00 0.00 O ATOM 0 H SER A 69 -3.862 -13.260 12.251 1.00 0.00 H new ATOM 0 HA SER A 69 -2.673 -14.584 10.100 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.169 -15.692 12.557 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.015 -16.602 11.602 1.00 0.00 H new ATOM 0 HG SER A 69 -2.054 -15.701 13.517 1.00 0.00 H new ATOM 1064 N ASN A 70 -5.834 -14.742 9.790 1.00 0.00 N ATOM 1065 CA ASN A 70 -6.960 -15.192 8.952 1.00 0.00 C ATOM 1066 C ASN A 70 -7.960 -14.068 8.571 1.00 0.00 C ATOM 1067 O ASN A 70 -9.060 -14.350 8.081 1.00 0.00 O ATOM 1068 CB ASN A 70 -7.679 -16.371 9.642 1.00 0.00 C ATOM 1069 CG ASN A 70 -8.537 -15.963 10.843 1.00 0.00 C ATOM 1070 OD1 ASN A 70 -8.281 -14.984 11.534 1.00 0.00 O ATOM 1071 ND2 ASN A 70 -9.595 -16.703 11.122 1.00 0.00 N ATOM 0 H ASN A 70 -6.060 -13.909 10.334 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.534 -15.519 8.004 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.312 -16.875 8.911 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.934 -17.095 9.971 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.195 -16.459 11.910 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.812 -17.519 10.550 1.00 0.00 H new ATOM 1078 N LEU A 71 -7.609 -12.797 8.815 1.00 0.00 N ATOM 1079 CA LEU A 71 -8.505 -11.645 8.755 1.00 0.00 C ATOM 1080 C LEU A 71 -7.789 -10.439 8.129 1.00 0.00 C ATOM 1081 O LEU A 71 -6.674 -10.096 8.521 1.00 0.00 O ATOM 1082 CB LEU A 71 -8.964 -11.375 10.212 1.00 0.00 C ATOM 1083 CG LEU A 71 -10.301 -10.651 10.443 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -10.268 -9.190 9.994 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -11.459 -11.404 9.782 1.00 0.00 C ATOM 0 H LEU A 71 -6.655 -12.539 9.069 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.372 -11.834 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.015 -12.335 10.726 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.184 -10.792 10.702 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.467 -10.643 11.520 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.238 -8.730 10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.499 -8.655 10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.043 -9.142 8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.391 -10.869 9.962 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.282 -11.474 8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.529 -12.407 10.204 1.00 0.00 H new ATOM 1097 N PHE A 72 -8.450 -9.793 7.171 1.00 0.00 N ATOM 1098 CA PHE A 72 -8.052 -8.530 6.556 1.00 0.00 C ATOM 1099 C PHE A 72 -9.188 -7.508 6.730 1.00 0.00 C ATOM 1100 O PHE A 72 -10.355 -7.814 6.503 1.00 0.00 O ATOM 1101 CB PHE A 72 -7.731 -8.779 5.075 1.00 0.00 C ATOM 1102 CG PHE A 72 -7.586 -7.502 4.275 1.00 0.00 C ATOM 1103 CD1 PHE A 72 -6.496 -6.644 4.508 1.00 0.00 C ATOM 1104 CD2 PHE A 72 -8.594 -7.123 3.369 1.00 0.00 C ATOM 1105 CE1 PHE A 72 -6.436 -5.394 3.870 1.00 0.00 C ATOM 1106 CE2 PHE A 72 -8.520 -5.881 2.716 1.00 0.00 C ATOM 1107 CZ PHE A 72 -7.452 -5.008 2.979 1.00 0.00 C ATOM 0 H PHE A 72 -9.321 -10.155 6.784 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.160 -8.127 7.034 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.808 -9.353 5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.521 -9.388 4.636 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.705 -6.946 5.178 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.424 -7.786 3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.608 -4.729 4.064 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.286 -5.597 2.010 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.411 -4.042 2.498 1.00 0.00 H new ATOM 1117 N SER A 73 -8.866 -6.287 7.145 1.00 0.00 N ATOM 1118 CA SER A 73 -9.850 -5.251 7.471 1.00 0.00 C ATOM 1119 C SER A 73 -9.289 -3.839 7.265 1.00 0.00 C ATOM 1120 O SER A 73 -8.079 -3.607 7.360 1.00 0.00 O ATOM 1121 CB SER A 73 -10.325 -5.448 8.915 1.00 0.00 C ATOM 1122 OG SER A 73 -11.359 -4.537 9.239 1.00 0.00 O ATOM 0 H SER A 73 -7.901 -5.981 7.267 1.00 0.00 H new ATOM 0 HA SER A 73 -10.696 -5.350 6.791 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.681 -6.470 9.048 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.487 -5.311 9.599 1.00 0.00 H new ATOM 0 HG SER A 73 -11.945 -4.418 8.463 1.00 0.00 H new ATOM 1128 N PHE A 74 -10.174 -2.882 6.984 1.00 0.00 N ATOM 1129 CA PHE A 74 -9.821 -1.505 6.655 1.00 0.00 C ATOM 1130 C PHE A 74 -10.907 -0.516 7.098 1.00 0.00 C ATOM 1131 O PHE A 74 -12.091 -0.853 7.161 1.00 0.00 O ATOM 1132 CB PHE A 74 -9.504 -1.400 5.150 1.00 0.00 C ATOM 1133 CG PHE A 74 -10.636 -1.782 4.207 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -11.621 -0.835 3.864 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -10.699 -3.080 3.651 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -12.656 -1.179 2.980 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -11.729 -3.423 2.754 1.00 0.00 C ATOM 1138 CZ PHE A 74 -12.710 -2.471 2.427 1.00 0.00 C ATOM 0 H PHE A 74 -11.180 -3.049 6.979 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.926 -1.227 7.211 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.205 -0.375 4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.646 -2.036 4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.580 0.160 4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.952 -3.814 3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.411 -0.451 2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.765 -4.411 2.320 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.508 -2.733 1.748 1.00 0.00 H new ATOM 1148 N GLU A 75 -10.484 0.714 7.399 1.00 0.00 N ATOM 1149 CA GLU A 75 -11.363 1.850 7.678 1.00 0.00 C ATOM 1150 C GLU A 75 -11.369 2.788 6.468 1.00 0.00 C ATOM 1151 O GLU A 75 -10.313 3.220 6.002 1.00 0.00 O ATOM 1152 CB GLU A 75 -10.896 2.586 8.941 1.00 0.00 C ATOM 1153 CG GLU A 75 -11.913 3.636 9.413 1.00 0.00 C ATOM 1154 CD GLU A 75 -11.432 4.350 10.681 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -10.704 5.361 10.572 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -11.753 3.885 11.799 1.00 0.00 O ATOM 0 H GLU A 75 -9.494 0.953 7.457 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.378 1.494 7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.727 1.863 9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.940 3.072 8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.077 4.367 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.872 3.155 9.606 1.00 0.00 H new ATOM 1163 N SER A 76 -12.557 3.105 5.965 1.00 0.00 N ATOM 1164 CA SER A 76 -12.758 3.895 4.743 1.00 0.00 C ATOM 1165 C SER A 76 -13.644 5.122 5.011 1.00 0.00 C ATOM 1166 O SER A 76 -14.774 4.981 5.480 1.00 0.00 O ATOM 1167 CB SER A 76 -13.361 3.014 3.636 1.00 0.00 C ATOM 1168 OG SER A 76 -14.551 2.361 4.053 1.00 0.00 O ATOM 0 H SER A 76 -13.432 2.815 6.402 1.00 0.00 H new ATOM 0 HA SER A 76 -11.787 4.260 4.409 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.574 3.629 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.628 2.268 3.330 1.00 0.00 H new ATOM 0 HG SER A 76 -15.053 2.949 4.655 1.00 0.00 H new ATOM 1174 N GLY A 77 -13.129 6.326 4.717 1.00 0.00 N ATOM 1175 CA GLY A 77 -13.750 7.614 5.067 1.00 0.00 C ATOM 1176 C GLY A 77 -15.088 7.894 4.373 1.00 0.00 C ATOM 1177 O GLY A 77 -15.409 7.301 3.341 1.00 0.00 O ATOM 0 H GLY A 77 -12.247 6.434 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.903 7.646 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.054 8.416 4.820 1.00 0.00 H new ATOM 1181 N ARG A 78 -15.859 8.852 4.916 1.00 0.00 N ATOM 1182 CA ARG A 78 -17.265 9.113 4.540 1.00 0.00 C ATOM 1183 C ARG A 78 -17.524 9.438 3.051 1.00 0.00 C ATOM 1184 O ARG A 78 -18.663 9.331 2.595 1.00 0.00 O ATOM 1185 CB ARG A 78 -17.911 10.164 5.458 1.00 0.00 C ATOM 1186 CG ARG A 78 -17.305 11.572 5.439 1.00 0.00 C ATOM 1187 CD ARG A 78 -18.063 12.380 6.499 1.00 0.00 C ATOM 1188 NE ARG A 78 -17.533 13.744 6.661 1.00 0.00 N ATOM 1189 CZ ARG A 78 -17.890 14.605 7.609 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -18.799 14.310 8.518 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -17.330 15.794 7.659 1.00 0.00 N ATOM 0 H ARG A 78 -15.518 9.481 5.643 1.00 0.00 H new ATOM 0 HA ARG A 78 -17.753 8.150 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -18.965 10.245 5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.869 9.791 6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.239 11.540 5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -17.410 12.027 4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -19.116 12.434 6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.010 11.858 7.454 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.832 14.055 5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -19.253 13.396 8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -19.048 14.995 9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.623 16.054 6.971 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -17.603 16.456 8.386 1.00 0.00 H new ATOM 1205 N ARG A 79 -16.483 9.802 2.288 1.00 0.00 N ATOM 1206 CA ARG A 79 -16.548 10.138 0.853 1.00 0.00 C ATOM 1207 C ARG A 79 -16.800 8.940 -0.084 1.00 0.00 C ATOM 1208 O ARG A 79 -17.220 9.142 -1.224 1.00 0.00 O ATOM 1209 CB ARG A 79 -15.253 10.877 0.453 1.00 0.00 C ATOM 1210 CG ARG A 79 -14.000 9.973 0.370 1.00 0.00 C ATOM 1211 CD ARG A 79 -13.652 9.531 -1.062 1.00 0.00 C ATOM 1212 NE ARG A 79 -13.108 10.642 -1.865 1.00 0.00 N ATOM 1213 CZ ARG A 79 -13.090 10.732 -3.192 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -13.634 9.816 -3.969 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -12.514 11.765 -3.765 1.00 0.00 N ATOM 0 H ARG A 79 -15.538 9.874 2.664 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.422 10.777 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.406 11.355 -0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.065 11.672 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.149 10.506 0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.160 9.088 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.924 8.720 -1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.545 9.136 -1.547 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.703 11.423 -1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.090 9.002 -3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.599 9.921 -4.983 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.084 12.492 -3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.497 11.840 -4.782 1.00 0.00 H new ATOM 1229 N CYS A 80 -16.480 7.714 0.347 1.00 0.00 N ATOM 1230 CA CYS A 80 -16.506 6.511 -0.505 1.00 0.00 C ATOM 1231 C CYS A 80 -17.933 6.010 -0.839 1.00 0.00 C ATOM 1232 O CYS A 80 -18.929 6.506 -0.309 1.00 0.00 O ATOM 1233 CB CYS A 80 -15.619 5.429 0.141 1.00 0.00 C ATOM 1234 SG CYS A 80 -16.392 4.778 1.649 1.00 0.00 S ATOM 0 H CYS A 80 -16.192 7.523 1.307 1.00 0.00 H new ATOM 0 HA CYS A 80 -16.096 6.773 -1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -15.453 4.617 -0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -14.642 5.848 0.380 1.00 0.00 H new ATOM 0 HG CYS A 80 -16.184 5.602 2.633 1.00 0.00 H new ATOM 1240 N GLN A 81 -18.017 5.003 -1.720 1.00 0.00 N ATOM 1241 CA GLN A 81 -19.263 4.399 -2.220 1.00 0.00 C ATOM 1242 C GLN A 81 -20.195 3.906 -1.098 1.00 0.00 C ATOM 1243 O GLN A 81 -21.417 4.056 -1.193 1.00 0.00 O ATOM 1244 CB GLN A 81 -18.870 3.234 -3.152 1.00 0.00 C ATOM 1245 CG GLN A 81 -20.063 2.396 -3.651 1.00 0.00 C ATOM 1246 CD GLN A 81 -19.676 1.324 -4.676 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -18.557 1.252 -5.168 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -20.580 0.429 -5.021 1.00 0.00 N ATOM 0 H GLN A 81 -17.186 4.569 -2.121 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.831 5.162 -2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -18.337 3.636 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.176 2.580 -2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.540 1.915 -2.797 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.803 3.062 -4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.518 0.472 -4.622 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.342 -0.306 -5.687 1.00 0.00 H new ATOM 1257 N THR A 82 -19.616 3.312 -0.049 1.00 0.00 N ATOM 1258 CA THR A 82 -20.326 2.638 1.050 1.00 0.00 C ATOM 1259 C THR A 82 -20.648 3.550 2.227 1.00 0.00 C ATOM 1260 O THR A 82 -21.539 3.241 3.019 1.00 0.00 O ATOM 1261 CB THR A 82 -19.481 1.464 1.546 1.00 0.00 C ATOM 1262 OG1 THR A 82 -18.177 1.901 1.861 1.00 0.00 O ATOM 1263 CG2 THR A 82 -19.374 0.401 0.455 1.00 0.00 C ATOM 0 H THR A 82 -18.603 3.285 0.065 1.00 0.00 H new ATOM 0 HA THR A 82 -21.281 2.303 0.644 1.00 0.00 H new ATOM 0 HB THR A 82 -19.961 1.050 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.867 1.446 2.672 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.771 -0.432 0.816 1.00 0.00 H new ATOM 0 HG22 THR A 82 -20.371 0.042 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.904 0.833 -0.429 1.00 0.00 H new ATOM 1271 N GLY A 83 -19.920 4.660 2.341 1.00 0.00 N ATOM 1272 CA GLY A 83 -19.929 5.558 3.495 1.00 0.00 C ATOM 1273 C GLY A 83 -18.930 5.125 4.572 1.00 0.00 C ATOM 1274 O GLY A 83 -18.276 4.085 4.473 1.00 0.00 O ATOM 0 H GLY A 83 -19.285 4.970 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.692 6.570 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -20.931 5.588 3.922 1.00 0.00 H new ATOM 1278 N GLN A 84 -18.817 5.959 5.604 1.00 0.00 N ATOM 1279 CA GLN A 84 -17.856 5.810 6.699 1.00 0.00 C ATOM 1280 C GLN A 84 -18.148 4.568 7.550 1.00 0.00 C ATOM 1281 O GLN A 84 -19.276 4.350 8.000 1.00 0.00 O ATOM 1282 CB GLN A 84 -17.847 7.122 7.501 1.00 0.00 C ATOM 1283 CG GLN A 84 -17.355 7.090 8.950 1.00 0.00 C ATOM 1284 CD GLN A 84 -15.889 6.699 9.154 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -15.127 6.464 8.227 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -15.425 6.635 10.386 1.00 0.00 N ATOM 0 H GLN A 84 -19.409 6.783 5.706 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.854 5.637 6.307 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.231 7.838 6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -18.864 7.515 7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -17.511 8.076 9.387 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -17.978 6.391 9.509 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -16.043 6.827 11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -14.448 6.393 10.551 1.00 0.00 H new ATOM 1295 N GLY A 85 -17.103 3.768 7.785 1.00 0.00 N ATOM 1296 CA GLY A 85 -17.155 2.542 8.571 1.00 0.00 C ATOM 1297 C GLY A 85 -15.893 1.694 8.443 1.00 0.00 C ATOM 1298 O GLY A 85 -14.935 2.047 7.750 1.00 0.00 O ATOM 0 H GLY A 85 -16.171 3.966 7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.310 2.796 9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.015 1.952 8.256 1.00 0.00 H new ATOM 1302 N ILE A 86 -15.912 0.559 9.138 1.00 0.00 N ATOM 1303 CA ILE A 86 -14.869 -0.477 9.118 1.00 0.00 C ATOM 1304 C ILE A 86 -15.469 -1.762 8.551 1.00 0.00 C ATOM 1305 O ILE A 86 -16.529 -2.199 9.008 1.00 0.00 O ATOM 1306 CB ILE A 86 -14.318 -0.693 10.544 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -13.649 0.597 11.064 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -13.334 -1.878 10.604 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -13.425 0.571 12.579 1.00 0.00 C ATOM 0 H ILE A 86 -16.686 0.321 9.759 1.00 0.00 H new ATOM 0 HA ILE A 86 -14.036 -0.168 8.486 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.161 -0.937 11.190 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.692 0.735 10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.271 1.454 10.806 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.969 -1.997 11.624 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.843 -2.790 10.292 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.493 -1.687 9.938 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.952 1.501 12.893 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.383 0.462 13.087 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.780 -0.269 12.837 1.00 0.00 H new ATOM 1321 N PHE A 87 -14.772 -2.366 7.587 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.229 -3.536 6.835 1.00 0.00 C ATOM 1323 C PHE A 87 -14.188 -4.663 6.921 1.00 0.00 C ATOM 1324 O PHE A 87 -13.035 -4.481 6.522 1.00 0.00 O ATOM 1325 CB PHE A 87 -15.513 -3.115 5.383 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.573 -2.037 5.240 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -17.922 -2.350 5.482 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.220 -0.722 4.882 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.916 -1.363 5.363 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.214 0.266 4.767 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.562 -0.051 5.005 1.00 0.00 C ATOM 0 H PHE A 87 -13.847 -2.045 7.300 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.152 -3.925 7.264 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.586 -2.759 4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -15.826 -3.993 4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.197 -3.356 5.761 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.186 -0.472 4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -19.951 -1.613 5.547 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.940 1.274 4.494 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.323 0.710 4.913 1.00 0.00 H new ATOM 1341 N ALA A 88 -14.604 -5.824 7.445 1.00 0.00 N ATOM 1342 CA ALA A 88 -13.731 -6.954 7.777 1.00 0.00 C ATOM 1343 C ALA A 88 -14.048 -8.214 6.962 1.00 0.00 C ATOM 1344 O ALA A 88 -15.214 -8.602 6.797 1.00 0.00 O ATOM 1345 CB ALA A 88 -13.851 -7.236 9.276 1.00 0.00 C ATOM 0 H ALA A 88 -15.585 -6.006 7.655 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.708 -6.681 7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.207 -8.075 9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.546 -6.353 9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.885 -7.481 9.518 1.00 0.00 H new ATOM 1351 N PHE A 89 -12.987 -8.867 6.483 1.00 0.00 N ATOM 1352 CA PHE A 89 -13.067 -9.969 5.533 1.00 0.00 C ATOM 1353 C PHE A 89 -12.114 -11.111 5.907 1.00 0.00 C ATOM 1354 O PHE A 89 -10.920 -10.914 6.127 1.00 0.00 O ATOM 1355 CB PHE A 89 -12.788 -9.463 4.105 1.00 0.00 C ATOM 1356 CG PHE A 89 -13.649 -8.312 3.607 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -13.326 -6.986 3.959 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -14.754 -8.554 2.766 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -14.114 -5.918 3.499 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -15.532 -7.482 2.293 1.00 0.00 C ATOM 1361 CZ PHE A 89 -15.216 -6.164 2.665 1.00 0.00 C ATOM 0 H PHE A 89 -12.031 -8.637 6.753 1.00 0.00 H new ATOM 0 HA PHE A 89 -14.080 -10.371 5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.744 -9.155 4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.909 -10.300 3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.468 -6.790 4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -15.004 -9.566 2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.872 -4.906 3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -16.373 -7.672 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.820 -5.342 2.310 1.00 0.00 H new ATOM 1371 N LYS A 90 -12.652 -12.328 5.955 1.00 0.00 N ATOM 1372 CA LYS A 90 -11.897 -13.564 6.173 1.00 0.00 C ATOM 1373 C LYS A 90 -11.120 -13.997 4.911 1.00 0.00 C ATOM 1374 O LYS A 90 -11.687 -14.006 3.815 1.00 0.00 O ATOM 1375 CB LYS A 90 -12.889 -14.653 6.634 1.00 0.00 C ATOM 1376 CG LYS A 90 -12.962 -14.751 8.162 1.00 0.00 C ATOM 1377 CD LYS A 90 -13.742 -16.013 8.577 1.00 0.00 C ATOM 1378 CE LYS A 90 -13.594 -16.349 10.069 1.00 0.00 C ATOM 1379 NZ LYS A 90 -14.297 -15.385 10.953 1.00 0.00 N ATOM 0 H LYS A 90 -13.653 -12.488 5.840 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.142 -13.400 6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.880 -14.433 6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.587 -15.616 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.956 -14.782 8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.448 -13.864 8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.798 -15.873 8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.395 -16.859 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.983 -17.351 10.251 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.536 -16.367 10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.987 -15.526 11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.073 -14.414 10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.323 -15.539 10.888 1.00 0.00 H new ATOM 1393 N CYS A 91 -9.850 -14.394 5.078 1.00 0.00 N ATOM 1394 CA CYS A 91 -8.937 -14.887 4.025 1.00 0.00 C ATOM 1395 C CYS A 91 -7.629 -15.462 4.611 1.00 0.00 C ATOM 1396 O CYS A 91 -7.156 -15.007 5.652 1.00 0.00 O ATOM 1397 CB CYS A 91 -8.634 -13.769 3.002 1.00 0.00 C ATOM 1398 SG CYS A 91 -7.931 -12.298 3.801 1.00 0.00 S ATOM 0 H CYS A 91 -9.405 -14.381 5.996 1.00 0.00 H new ATOM 0 HA CYS A 91 -9.445 -15.704 3.512 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -7.938 -14.142 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -9.551 -13.496 2.480 1.00 0.00 H new ATOM 0 HG CYS A 91 -7.888 -11.319 2.947 1.00 0.00 H new ATOM 1404 N SER A 92 -7.001 -16.424 3.929 1.00 0.00 N ATOM 1405 CA SER A 92 -5.658 -16.917 4.311 1.00 0.00 C ATOM 1406 C SER A 92 -4.550 -15.906 3.966 1.00 0.00 C ATOM 1407 O SER A 92 -3.599 -15.735 4.731 1.00 0.00 O ATOM 1408 CB SER A 92 -5.335 -18.249 3.611 1.00 0.00 C ATOM 1409 OG SER A 92 -6.109 -19.329 4.112 1.00 0.00 O ATOM 0 H SER A 92 -7.395 -16.883 3.107 1.00 0.00 H new ATOM 0 HA SER A 92 -5.684 -17.060 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.512 -18.145 2.541 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.276 -18.475 3.738 1.00 0.00 H new ATOM 0 HG SER A 92 -5.870 -20.151 3.636 1.00 0.00 H new ATOM 1415 N ARG A 93 -4.677 -15.208 2.828 1.00 0.00 N ATOM 1416 CA ARG A 93 -3.644 -14.339 2.251 1.00 0.00 C ATOM 1417 C ARG A 93 -3.649 -12.901 2.801 1.00 0.00 C ATOM 1418 O ARG A 93 -3.100 -12.000 2.168 1.00 0.00 O ATOM 1419 CB ARG A 93 -3.774 -14.403 0.719 1.00 0.00 C ATOM 1420 CG ARG A 93 -3.492 -15.829 0.215 1.00 0.00 C ATOM 1421 CD ARG A 93 -3.379 -15.899 -1.306 1.00 0.00 C ATOM 1422 NE ARG A 93 -4.687 -15.931 -1.988 1.00 0.00 N ATOM 1423 CZ ARG A 93 -5.012 -15.302 -3.110 1.00 0.00 C ATOM 1424 NH1 ARG A 93 -4.240 -14.396 -3.662 1.00 0.00 N ATOM 1425 NH2 ARG A 93 -6.135 -15.587 -3.726 1.00 0.00 N ATOM 0 H ARG A 93 -5.529 -15.234 2.267 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.665 -14.711 2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.776 -14.096 0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.076 -13.703 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.567 -16.193 0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.290 -16.493 0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.813 -15.038 -1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.812 -16.789 -1.581 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.417 -16.495 -1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.350 -14.151 -3.227 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.529 -13.937 -4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.762 -16.294 -3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.381 -15.101 -4.588 1.00 0.00 H new ATOM 1439 N ALA A 94 -4.240 -12.665 3.977 1.00 0.00 N ATOM 1440 CA ALA A 94 -4.380 -11.346 4.602 1.00 0.00 C ATOM 1441 C ALA A 94 -3.066 -10.538 4.673 1.00 0.00 C ATOM 1442 O ALA A 94 -3.058 -9.348 4.361 1.00 0.00 O ATOM 1443 CB ALA A 94 -4.963 -11.553 6.004 1.00 0.00 C ATOM 0 H ALA A 94 -4.648 -13.412 4.539 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.042 -10.748 3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.079 -10.587 6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.935 -12.040 5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.290 -12.179 6.589 1.00 0.00 H new ATOM 1449 N GLU A 95 -1.948 -11.185 5.026 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.622 -10.558 5.072 1.00 0.00 C ATOM 1451 C GLU A 95 -0.079 -10.214 3.675 1.00 0.00 C ATOM 1452 O GLU A 95 0.539 -9.171 3.495 1.00 0.00 O ATOM 1453 CB GLU A 95 0.345 -11.484 5.819 1.00 0.00 C ATOM 1454 CG GLU A 95 1.718 -10.828 6.007 1.00 0.00 C ATOM 1455 CD GLU A 95 2.688 -11.648 6.878 1.00 0.00 C ATOM 1456 OE1 GLU A 95 2.251 -12.393 7.787 1.00 0.00 O ATOM 1457 OE2 GLU A 95 3.918 -11.548 6.653 1.00 0.00 O ATOM 0 H GLU A 95 -1.939 -12.170 5.291 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.716 -9.611 5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.073 -11.740 6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.459 -12.416 5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.170 -10.668 5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.581 -9.846 6.459 1.00 0.00 H new ATOM 1464 N GLU A 96 -0.337 -11.052 2.671 1.00 0.00 N ATOM 1465 CA GLU A 96 0.046 -10.771 1.281 1.00 0.00 C ATOM 1466 C GLU A 96 -0.762 -9.606 0.693 1.00 0.00 C ATOM 1467 O GLU A 96 -0.206 -8.801 -0.054 1.00 0.00 O ATOM 1468 CB GLU A 96 -0.086 -12.026 0.403 1.00 0.00 C ATOM 1469 CG GLU A 96 0.883 -13.153 0.787 1.00 0.00 C ATOM 1470 CD GLU A 96 2.347 -12.774 0.504 1.00 0.00 C ATOM 1471 OE1 GLU A 96 3.011 -12.184 1.389 1.00 0.00 O ATOM 1472 OE2 GLU A 96 2.842 -13.076 -0.609 1.00 0.00 O ATOM 0 H GLU A 96 -0.816 -11.944 2.794 1.00 0.00 H new ATOM 0 HA GLU A 96 1.094 -10.472 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.108 -12.399 0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.086 -11.750 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.767 -13.386 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.628 -14.056 0.232 1.00 0.00 H new ATOM 1479 N ILE A 97 -2.037 -9.448 1.078 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.825 -8.243 0.752 1.00 0.00 C ATOM 1481 C ILE A 97 -2.181 -7.009 1.396 1.00 0.00 C ATOM 1482 O ILE A 97 -1.967 -6.007 0.717 1.00 0.00 O ATOM 1483 CB ILE A 97 -4.305 -8.376 1.190 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -5.005 -9.573 0.515 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -5.056 -7.075 0.846 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -6.362 -9.922 1.140 1.00 0.00 C ATOM 0 H ILE A 97 -2.550 -10.143 1.620 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.823 -8.129 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.321 -8.551 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.148 -9.351 -0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.353 -10.444 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.098 -7.164 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.594 -6.239 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.008 -6.900 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.796 -10.773 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.224 -10.176 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.031 -9.065 1.059 1.00 0.00 H new ATOM 1498 N PHE A 98 -1.831 -7.093 2.684 1.00 0.00 N ATOM 1499 CA PHE A 98 -1.179 -6.023 3.441 1.00 0.00 C ATOM 1500 C PHE A 98 0.178 -5.619 2.825 1.00 0.00 C ATOM 1501 O PHE A 98 0.451 -4.427 2.654 1.00 0.00 O ATOM 1502 CB PHE A 98 -1.090 -6.488 4.900 1.00 0.00 C ATOM 1503 CG PHE A 98 0.058 -5.944 5.718 1.00 0.00 C ATOM 1504 CD1 PHE A 98 -0.064 -4.712 6.385 1.00 0.00 C ATOM 1505 CD2 PHE A 98 1.234 -6.705 5.855 1.00 0.00 C ATOM 1506 CE1 PHE A 98 0.984 -4.257 7.202 1.00 0.00 C ATOM 1507 CE2 PHE A 98 2.284 -6.244 6.662 1.00 0.00 C ATOM 1508 CZ PHE A 98 2.156 -5.023 7.343 1.00 0.00 C ATOM 0 H PHE A 98 -1.999 -7.930 3.242 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.764 -5.104 3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.021 -6.220 5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.027 -7.576 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.959 -4.119 6.270 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.328 -7.648 5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.890 -3.316 7.724 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.188 -6.826 6.759 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.958 -4.671 7.976 1.00 0.00 H new ATOM 1518 N ASN A 99 0.994 -6.599 2.417 1.00 0.00 N ATOM 1519 CA ASN A 99 2.290 -6.391 1.765 1.00 0.00 C ATOM 1520 C ASN A 99 2.161 -5.760 0.366 1.00 0.00 C ATOM 1521 O ASN A 99 3.010 -4.950 -0.013 1.00 0.00 O ATOM 1522 CB ASN A 99 3.048 -7.729 1.657 1.00 0.00 C ATOM 1523 CG ASN A 99 3.630 -8.234 2.978 1.00 0.00 C ATOM 1524 OD1 ASN A 99 4.005 -7.470 3.860 1.00 0.00 O ATOM 1525 ND2 ASN A 99 3.777 -9.539 3.133 1.00 0.00 N ATOM 0 H ASN A 99 0.763 -7.585 2.535 1.00 0.00 H new ATOM 0 HA ASN A 99 2.846 -5.690 2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.371 -8.485 1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.858 -7.616 0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.201 -9.907 3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.466 -10.178 2.401 1.00 0.00 H new ATOM 1532 N LEU A 100 1.107 -6.087 -0.395 1.00 0.00 N ATOM 1533 CA LEU A 100 0.867 -5.511 -1.722 1.00 0.00 C ATOM 1534 C LEU A 100 0.266 -4.103 -1.593 1.00 0.00 C ATOM 1535 O LEU A 100 0.717 -3.185 -2.274 1.00 0.00 O ATOM 1536 CB LEU A 100 -0.002 -6.494 -2.537 1.00 0.00 C ATOM 1537 CG LEU A 100 0.225 -6.467 -4.064 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.623 -7.560 -4.727 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.082 -5.120 -4.728 1.00 0.00 C ATOM 0 H LEU A 100 0.397 -6.760 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 100 1.801 -5.378 -2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.187 -7.505 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.051 -6.276 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 100 1.291 -6.643 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.463 -7.541 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.333 -8.534 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.677 -7.382 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.105 -5.192 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.127 -4.861 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.558 -4.349 -4.299 1.00 0.00 H new ATOM 1551 N LEU A 101 -0.671 -3.890 -0.658 1.00 0.00 N ATOM 1552 CA LEU A 101 -1.306 -2.592 -0.406 1.00 0.00 C ATOM 1553 C LEU A 101 -0.297 -1.473 -0.172 1.00 0.00 C ATOM 1554 O LEU A 101 -0.374 -0.443 -0.836 1.00 0.00 O ATOM 1555 CB LEU A 101 -2.248 -2.684 0.812 1.00 0.00 C ATOM 1556 CG LEU A 101 -3.693 -3.034 0.441 1.00 0.00 C ATOM 1557 CD1 LEU A 101 -4.510 -3.265 1.715 1.00 0.00 C ATOM 1558 CD2 LEU A 101 -4.333 -1.896 -0.370 1.00 0.00 C ATOM 0 H LEU A 101 -1.014 -4.630 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.870 -2.346 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.866 -3.437 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.238 -1.732 1.342 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.685 -3.940 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.537 -3.514 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.074 -4.086 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.502 -2.360 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.359 -2.163 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.332 -0.981 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.762 -1.736 -1.285 1.00 0.00 H new ATOM 1570 N GLN A 102 0.656 -1.675 0.739 1.00 0.00 N ATOM 1571 CA GLN A 102 1.671 -0.662 1.046 1.00 0.00 C ATOM 1572 C GLN A 102 2.570 -0.312 -0.158 1.00 0.00 C ATOM 1573 O GLN A 102 3.093 0.801 -0.223 1.00 0.00 O ATOM 1574 CB GLN A 102 2.501 -1.065 2.276 1.00 0.00 C ATOM 1575 CG GLN A 102 3.347 -2.329 2.081 1.00 0.00 C ATOM 1576 CD GLN A 102 4.219 -2.633 3.300 1.00 0.00 C ATOM 1577 OE1 GLN A 102 3.739 -2.901 4.393 1.00 0.00 O ATOM 1578 NE2 GLN A 102 5.532 -2.594 3.176 1.00 0.00 N ATOM 0 H GLN A 102 0.748 -2.535 1.280 1.00 0.00 H new ATOM 0 HA GLN A 102 1.129 0.253 1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.160 -0.238 2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.828 -1.219 3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.691 -3.177 1.885 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.982 -2.208 1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.953 -2.373 2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.126 -2.785 3.983 1.00 0.00 H new ATOM 1587 N ASP A 103 2.714 -1.214 -1.139 1.00 0.00 N ATOM 1588 CA ASP A 103 3.444 -0.951 -2.386 1.00 0.00 C ATOM 1589 C ASP A 103 2.640 -0.081 -3.368 1.00 0.00 C ATOM 1590 O ASP A 103 3.223 0.681 -4.138 1.00 0.00 O ATOM 1591 CB ASP A 103 3.869 -2.272 -3.062 1.00 0.00 C ATOM 1592 CG ASP A 103 5.398 -2.412 -3.144 1.00 0.00 C ATOM 1593 OD1 ASP A 103 6.069 -1.446 -3.582 1.00 0.00 O ATOM 1594 OD2 ASP A 103 5.925 -3.489 -2.779 1.00 0.00 O ATOM 0 H ASP A 103 2.323 -2.155 -1.088 1.00 0.00 H new ATOM 0 HA ASP A 103 4.337 -0.388 -2.114 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.457 -3.113 -2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.447 -2.318 -4.066 1.00 0.00 H new ATOM 1599 N LEU A 104 1.306 -0.148 -3.308 1.00 0.00 N ATOM 1600 CA LEU A 104 0.401 0.687 -4.104 1.00 0.00 C ATOM 1601 C LEU A 104 0.169 2.044 -3.436 1.00 0.00 C ATOM 1602 O LEU A 104 0.140 3.066 -4.122 1.00 0.00 O ATOM 1603 CB LEU A 104 -0.910 -0.068 -4.366 1.00 0.00 C ATOM 1604 CG LEU A 104 -0.710 -1.434 -5.055 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -2.079 -2.067 -5.281 1.00 0.00 C ATOM 1606 CD2 LEU A 104 0.058 -1.342 -6.384 1.00 0.00 C ATOM 0 H LEU A 104 0.816 -0.797 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 104 0.864 0.895 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.427 -0.221 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.558 0.551 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.097 -2.050 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.957 -3.035 -5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.579 -2.204 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.681 -1.416 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.162 -2.338 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.490 -0.704 -7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.046 -0.919 -6.205 1.00 0.00 H new ATOM 1618 N MET A 105 0.128 2.081 -2.101 1.00 0.00 N ATOM 1619 CA MET A 105 0.136 3.321 -1.313 1.00 0.00 C ATOM 1620 C MET A 105 1.347 4.210 -1.635 1.00 0.00 C ATOM 1621 O MET A 105 1.196 5.430 -1.684 1.00 0.00 O ATOM 1622 CB MET A 105 0.107 3.004 0.191 1.00 0.00 C ATOM 1623 CG MET A 105 -1.220 2.402 0.667 1.00 0.00 C ATOM 1624 SD MET A 105 -2.629 3.509 0.455 1.00 0.00 S ATOM 1625 CE MET A 105 -3.596 3.093 1.915 1.00 0.00 C ATOM 0 H MET A 105 0.088 1.239 -1.527 1.00 0.00 H new ATOM 0 HA MET A 105 -0.762 3.875 -1.586 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.915 2.310 0.423 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.302 3.919 0.750 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.408 1.478 0.120 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.132 2.136 1.720 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.586 3.543 1.836 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.694 2.010 1.990 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.094 3.474 2.804 1.00 0.00 H new ATOM 2271 N PHE B 2 -21.081 -5.417 6.404 1.00 0.00 N ATOM 2272 CA PHE B 2 -21.211 -5.150 7.841 1.00 0.00 C ATOM 2273 C PHE B 2 -20.286 -4.013 8.298 1.00 0.00 C ATOM 2274 O PHE B 2 -19.081 -4.066 8.050 1.00 0.00 O ATOM 2275 CB PHE B 2 -20.906 -6.439 8.608 1.00 0.00 C ATOM 2276 CG PHE B 2 -21.421 -6.447 10.031 1.00 0.00 C ATOM 2277 CD1 PHE B 2 -20.650 -5.910 11.081 1.00 0.00 C ATOM 2278 CD2 PHE B 2 -22.683 -7.005 10.304 1.00 0.00 C ATOM 2279 CE1 PHE B 2 -21.146 -5.932 12.397 1.00 0.00 C ATOM 2280 CE2 PHE B 2 -23.173 -7.035 11.620 1.00 0.00 C ATOM 2281 CZ PHE B 2 -22.405 -6.495 12.669 1.00 0.00 C ATOM 0 HA PHE B 2 -22.231 -4.825 8.048 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -21.342 -7.281 8.070 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -19.827 -6.594 8.622 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -19.680 -5.482 10.876 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -23.277 -7.412 9.499 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -20.558 -5.515 13.201 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -24.139 -7.472 11.827 1.00 0.00 H new ATOM 0 HZ PHE B 2 -22.782 -6.513 13.681 1.00 0.00 H new ATOM 2291 N ARG B 3 -20.843 -3.015 8.996 1.00 0.00 N ATOM 2292 CA ARG B 3 -20.090 -1.897 9.579 1.00 0.00 C ATOM 2293 C ARG B 3 -19.685 -2.247 11.017 1.00 0.00 C ATOM 2294 O ARG B 3 -20.547 -2.349 11.894 1.00 0.00 O ATOM 2295 CB ARG B 3 -20.918 -0.594 9.572 1.00 0.00 C ATOM 2296 CG ARG B 3 -21.227 0.005 8.186 1.00 0.00 C ATOM 2297 CD ARG B 3 -22.353 -0.675 7.385 1.00 0.00 C ATOM 2298 NE ARG B 3 -23.630 -0.741 8.126 1.00 0.00 N ATOM 2299 CZ ARG B 3 -24.485 0.253 8.351 1.00 0.00 C ATOM 2300 NH1 ARG B 3 -24.282 1.474 7.902 1.00 0.00 N ATOM 2301 NH2 ARG B 3 -25.578 0.025 9.047 1.00 0.00 N ATOM 0 H ARG B 3 -21.846 -2.961 9.174 1.00 0.00 H new ATOM 0 HA ARG B 3 -19.200 -1.732 8.972 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -21.862 -0.785 10.082 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -20.385 0.155 10.158 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -21.487 1.055 8.317 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -20.316 -0.026 7.589 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -22.508 -0.131 6.453 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -22.042 -1.685 7.117 1.00 0.00 H new ATOM 0 HE ARG B 3 -23.885 -1.652 8.508 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -23.444 1.685 7.360 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -24.962 2.209 8.096 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -25.766 -0.909 9.410 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -26.238 0.783 9.223 1.00 0.00 H new ATOM 2315 N LEU B 4 -18.387 -2.423 11.276 1.00 0.00 N ATOM 2316 CA LEU B 4 -17.860 -2.658 12.629 1.00 0.00 C ATOM 2317 C LEU B 4 -17.758 -1.363 13.447 1.00 0.00 C ATOM 2318 O LEU B 4 -17.605 -0.267 12.903 1.00 0.00 O ATOM 2319 CB LEU B 4 -16.486 -3.345 12.557 1.00 0.00 C ATOM 2320 CG LEU B 4 -16.521 -4.814 12.124 1.00 0.00 C ATOM 2321 CD1 LEU B 4 -15.081 -5.266 11.871 1.00 0.00 C ATOM 2322 CD2 LEU B 4 -17.134 -5.725 13.188 1.00 0.00 C ATOM 0 H LEU B 4 -17.667 -2.407 10.553 1.00 0.00 H new ATOM 0 HA LEU B 4 -18.567 -3.312 13.139 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -15.855 -2.791 11.861 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -16.012 -3.281 13.537 1.00 0.00 H new ATOM 0 HG LEU B 4 -17.140 -4.889 11.230 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -15.077 -6.311 11.561 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -14.640 -4.652 11.086 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.499 -5.157 12.786 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -17.134 -6.754 12.829 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -16.547 -5.660 14.104 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -18.158 -5.411 13.390 1.00 0.00 H new ATOM 2334 N ARG B 5 -17.797 -1.536 14.773 1.00 0.00 N ATOM 2335 CA ARG B 5 -17.658 -0.460 15.773 1.00 0.00 C ATOM 2336 C ARG B 5 -16.203 -0.244 16.229 1.00 0.00 C ATOM 2337 O ARG B 5 -15.836 0.868 16.611 1.00 0.00 O ATOM 2338 CB ARG B 5 -18.552 -0.764 16.990 1.00 0.00 C ATOM 2339 CG ARG B 5 -20.050 -0.724 16.643 1.00 0.00 C ATOM 2340 CD ARG B 5 -20.935 -1.000 17.866 1.00 0.00 C ATOM 2341 NE ARG B 5 -20.855 -2.407 18.304 1.00 0.00 N ATOM 2342 CZ ARG B 5 -21.375 -2.917 19.415 1.00 0.00 C ATOM 2343 NH1 ARG B 5 -22.021 -2.175 20.291 1.00 0.00 N ATOM 2344 NH2 ARG B 5 -21.252 -4.203 19.663 1.00 0.00 N ATOM 0 H ARG B 5 -17.930 -2.454 15.197 1.00 0.00 H new ATOM 0 HA ARG B 5 -17.976 0.465 15.292 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -18.300 -1.748 17.386 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -18.345 -0.041 17.779 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -20.299 0.253 16.229 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -20.262 -1.462 15.869 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -20.633 -0.348 18.686 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -21.970 -0.754 17.627 1.00 0.00 H new ATOM 0 HE ARG B 5 -20.351 -3.051 17.694 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -22.135 -1.175 20.127 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -22.407 -2.601 21.134 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -20.759 -4.805 19.003 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -21.650 -4.598 20.515 1.00 0.00 H new ATOM 2358 N HIS B 6 -15.370 -1.287 16.159 1.00 0.00 N ATOM 2359 CA HIS B 6 -13.951 -1.299 16.547 1.00 0.00 C ATOM 2360 C HIS B 6 -13.099 -2.130 15.565 1.00 0.00 C ATOM 2361 O HIS B 6 -13.619 -2.982 14.839 1.00 0.00 O ATOM 2362 CB HIS B 6 -13.820 -1.845 17.979 1.00 0.00 C ATOM 2363 CG HIS B 6 -14.480 -0.987 19.024 1.00 0.00 C ATOM 2364 ND1 HIS B 6 -13.882 0.088 19.686 1.00 0.00 N ATOM 2365 CD2 HIS B 6 -15.761 -1.128 19.470 1.00 0.00 C ATOM 2366 CE1 HIS B 6 -14.823 0.569 20.514 1.00 0.00 C ATOM 2367 NE2 HIS B 6 -15.963 -0.139 20.407 1.00 0.00 N ATOM 0 H HIS B 6 -15.681 -2.194 15.812 1.00 0.00 H new ATOM 0 HA HIS B 6 -13.573 -0.277 16.511 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -14.254 -2.844 18.017 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -12.762 -1.947 18.223 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -16.477 -1.870 19.151 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -14.684 1.410 21.177 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -16.824 0.028 20.928 1.00 0.00 H new ATOM 2375 N PHE B 7 -11.785 -1.878 15.529 1.00 0.00 N ATOM 2376 CA PHE B 7 -10.875 -2.476 14.549 1.00 0.00 C ATOM 2377 C PHE B 7 -10.389 -3.880 14.989 1.00 0.00 C ATOM 2378 O PHE B 7 -9.902 -4.012 16.117 1.00 0.00 O ATOM 2379 CB PHE B 7 -9.707 -1.505 14.311 1.00 0.00 C ATOM 2380 CG PHE B 7 -9.009 -1.703 12.985 1.00 0.00 C ATOM 2381 CD1 PHE B 7 -9.757 -1.668 11.794 1.00 0.00 C ATOM 2382 CD2 PHE B 7 -7.614 -1.877 12.926 1.00 0.00 C ATOM 2383 CE1 PHE B 7 -9.126 -1.826 10.555 1.00 0.00 C ATOM 2384 CE2 PHE B 7 -6.978 -2.010 11.681 1.00 0.00 C ATOM 2385 CZ PHE B 7 -7.733 -1.984 10.495 1.00 0.00 C ATOM 0 H PHE B 7 -11.322 -1.249 16.184 1.00 0.00 H new ATOM 0 HA PHE B 7 -11.407 -2.633 13.611 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -10.080 -0.482 14.365 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -8.980 -1.622 15.115 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -10.826 -1.518 11.836 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -7.034 -1.908 13.836 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.710 -1.826 9.647 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -5.906 -2.133 11.634 1.00 0.00 H new ATOM 0 HZ PHE B 7 -7.241 -2.086 9.539 1.00 0.00 H new ATOM 2395 N PRO B 8 -10.500 -4.923 14.134 1.00 0.00 N ATOM 2396 CA PRO B 8 -10.181 -6.305 14.501 1.00 0.00 C ATOM 2397 C PRO B 8 -8.697 -6.682 14.338 1.00 0.00 C ATOM 2398 O PRO B 8 -8.296 -7.744 14.814 1.00 0.00 O ATOM 2399 CB PRO B 8 -11.068 -7.160 13.591 1.00 0.00 C ATOM 2400 CG PRO B 8 -11.127 -6.336 12.309 1.00 0.00 C ATOM 2401 CD PRO B 8 -11.141 -4.898 12.823 1.00 0.00 C ATOM 0 HA PRO B 8 -10.368 -6.462 15.563 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -10.639 -8.147 13.418 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -12.058 -7.314 14.019 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -10.267 -6.526 11.667 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -12.018 -6.564 11.724 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.606 -4.237 12.142 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -12.161 -4.522 12.897 1.00 0.00 H new ATOM 2409 N CYS B 9 -7.876 -5.845 13.688 1.00 0.00 N ATOM 2410 CA CYS B 9 -6.464 -6.130 13.396 1.00 0.00 C ATOM 2411 C CYS B 9 -5.526 -5.386 14.364 1.00 0.00 C ATOM 2412 O CYS B 9 -5.608 -4.162 14.500 1.00 0.00 O ATOM 2413 CB CYS B 9 -6.186 -5.755 11.934 1.00 0.00 C ATOM 2414 SG CYS B 9 -7.147 -6.829 10.827 1.00 0.00 S ATOM 0 H CYS B 9 -8.180 -4.934 13.344 1.00 0.00 H new ATOM 0 HA CYS B 9 -6.268 -7.192 13.540 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -6.449 -4.711 11.761 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.122 -5.856 11.720 1.00 0.00 H new ATOM 0 HG CYS B 9 -7.254 -6.265 9.660 1.00 0.00 H new ATOM 2420 N GLY B 10 -4.621 -6.120 15.024 1.00 0.00 N ATOM 2421 CA GLY B 10 -3.706 -5.581 16.045 1.00 0.00 C ATOM 2422 C GLY B 10 -2.462 -4.892 15.473 1.00 0.00 C ATOM 2423 O GLY B 10 -1.969 -3.935 16.070 1.00 0.00 O ATOM 0 H GLY B 10 -4.500 -7.120 14.863 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -4.250 -4.868 16.664 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.389 -6.394 16.698 1.00 0.00 H new ATOM 2427 N ASN B 11 -1.976 -5.348 14.313 1.00 0.00 N ATOM 2428 CA ASN B 11 -0.850 -4.751 13.582 1.00 0.00 C ATOM 2429 C ASN B 11 -1.348 -4.043 12.311 1.00 0.00 C ATOM 2430 O ASN B 11 -2.126 -4.612 11.538 1.00 0.00 O ATOM 2431 CB ASN B 11 0.188 -5.834 13.238 1.00 0.00 C ATOM 2432 CG ASN B 11 0.914 -6.385 14.465 1.00 0.00 C ATOM 2433 OD1 ASN B 11 1.242 -5.667 15.404 1.00 0.00 O ATOM 2434 ND2 ASN B 11 1.199 -7.675 14.493 1.00 0.00 N ATOM 0 H ASN B 11 -2.365 -6.165 13.843 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.372 -4.005 14.217 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -0.310 -6.654 12.720 1.00 0.00 H new ATOM 0 HB3 ASN B 11 0.921 -5.419 12.546 1.00 0.00 H new ATOM 0 HD21 ASN B 11 1.691 -8.071 15.294 1.00 0.00 H new ATOM 0 HD22 ASN B 11 0.927 -8.274 13.714 1.00 0.00 H new ATOM 2441 N VAL B 12 -0.907 -2.798 12.098 1.00 0.00 N ATOM 2442 CA VAL B 12 -1.381 -1.918 11.025 1.00 0.00 C ATOM 2443 C VAL B 12 -0.447 -0.717 10.815 1.00 0.00 C ATOM 2444 O VAL B 12 0.059 -0.127 11.768 1.00 0.00 O ATOM 2445 CB VAL B 12 -2.839 -1.465 11.284 1.00 0.00 C ATOM 2446 CG1 VAL B 12 -3.074 -0.767 12.637 1.00 0.00 C ATOM 2447 CG2 VAL B 12 -3.316 -0.542 10.166 1.00 0.00 C ATOM 0 H VAL B 12 -0.192 -2.364 12.682 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.369 -2.494 10.100 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.415 -2.390 11.310 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.124 -0.488 12.725 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.810 -1.446 13.448 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.454 0.128 12.697 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.342 -0.232 10.363 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.674 0.338 10.122 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.273 -1.071 9.214 1.00 0.00 H new ATOM 2457 N ASN B 13 -0.251 -0.368 9.545 1.00 0.00 N ATOM 2458 CA ASN B 13 0.406 0.838 9.043 1.00 0.00 C ATOM 2459 C ASN B 13 -0.618 1.883 8.549 1.00 0.00 C ATOM 2460 O ASN B 13 -1.683 1.553 8.025 1.00 0.00 O ATOM 2461 CB ASN B 13 1.425 0.482 7.934 1.00 0.00 C ATOM 2462 CG ASN B 13 1.010 -0.586 6.916 1.00 0.00 C ATOM 2463 OD1 ASN B 13 -0.114 -1.064 6.863 1.00 0.00 O ATOM 2464 ND2 ASN B 13 1.944 -1.028 6.090 1.00 0.00 N ATOM 0 H ASN B 13 -0.571 -0.965 8.783 1.00 0.00 H new ATOM 0 HA ASN B 13 0.949 1.290 9.873 1.00 0.00 H new ATOM 0 HB2 ASN B 13 1.662 1.395 7.388 1.00 0.00 H new ATOM 0 HB3 ASN B 13 2.345 0.150 8.415 1.00 0.00 H new ATOM 0 HD21 ASN B 13 1.723 -1.761 5.416 1.00 0.00 H new ATOM 0 HD22 ASN B 13 2.885 -0.635 6.127 1.00 0.00 H new ATOM 2471 N TYR B 14 -0.271 3.165 8.704 1.00 0.00 N ATOM 2472 CA TYR B 14 -1.050 4.313 8.222 1.00 0.00 C ATOM 2473 C TYR B 14 -0.364 4.900 6.972 1.00 0.00 C ATOM 2474 O TYR B 14 0.770 5.381 7.048 1.00 0.00 O ATOM 2475 CB TYR B 14 -1.191 5.346 9.354 1.00 0.00 C ATOM 2476 CG TYR B 14 -1.712 4.784 10.668 1.00 0.00 C ATOM 2477 CD1 TYR B 14 -3.089 4.545 10.850 1.00 0.00 C ATOM 2478 CD2 TYR B 14 -0.813 4.497 11.716 1.00 0.00 C ATOM 2479 CE1 TYR B 14 -3.563 4.048 12.078 1.00 0.00 C ATOM 2480 CE2 TYR B 14 -1.279 3.974 12.938 1.00 0.00 C ATOM 2481 CZ TYR B 14 -2.662 3.750 13.123 1.00 0.00 C ATOM 2482 OH TYR B 14 -3.134 3.252 14.301 1.00 0.00 O ATOM 0 H TYR B 14 0.586 3.442 9.183 1.00 0.00 H new ATOM 0 HA TYR B 14 -2.055 4.006 7.934 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -0.218 5.805 9.531 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.862 6.139 9.022 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.782 4.744 10.045 1.00 0.00 H new ATOM 0 HD2 TYR B 14 0.243 4.680 11.580 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -4.622 3.894 12.222 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -0.582 3.745 13.731 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.386 3.100 14.915 1.00 0.00 H new